<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:08:05 UTC</creation_date>
  <update_date>2015-07-20 22:22:36 UTC</update_date>
  <accession>FDB008463</accession>
  <name>Hydroxytriphenylstannane</name>
  <description>Agricultural fungicide for potatoes, sugar beet, pecans and peanuts</description>
  <synonyms>
    <synonym>[Sn(OH)Ph3]</synonym>
    <synonym>Ashlade flotin</synonym>
    <synonym>Brestan H 47.5 WP fungicide</synonym>
    <synonym>Brestan r</synonym>
    <synonym>Dowco 186</synonym>
    <synonym>Du-Ter</synonym>
    <synonym>Du-ter fungicide</synonym>
    <synonym>Du-ter fungicide wettable powder</synonym>
    <synonym>Du-Ter PB-47 Fungicide</synonym>
    <synonym>Du-Ter W-50</synonym>
    <synonym>Du-Tur Flowable-30</synonym>
    <synonym>Duter</synonym>
    <synonym>Duter extra</synonym>
    <synonym>Erithane</synonym>
    <synonym>Farmatin</synonym>
    <synonym>Fenolovo</synonym>
    <synonym>Fentin</synonym>
    <synonym>Fentin [iso]</synonym>
    <synonym>Fentin hydroxide</synonym>
    <synonym>Fentin hydroxide [bsi]</synonym>
    <synonym>Fentin hydroxide, BSI</synonym>
    <synonym>Fentine</synonym>
    <synonym>Fintin hydroxid</synonym>
    <synonym>Fintin hydroxid (german)</synonym>
    <synonym>Fintin hydroxyde</synonym>
    <synonym>Fintin idrossido</synonym>
    <synonym>Fintine hydroxide</synonym>
    <synonym>Fintine hydroxyde</synonym>
    <synonym>Flo Tin 4l</synonym>
    <synonym>Flo-tin 4L</synonym>
    <synonym>Haitin</synonym>
    <synonym>Haitin WP 20 (fentin hydroxide 20%)</synonym>
    <synonym>Haitin WP 60 (fentin hydroxide 60%)</synonym>
    <synonym>Hydroxyde de triphenyl-etain</synonym>
    <synonym>Hydroxytriphenyl-stannane</synonym>
    <synonym>Hydroxytriphenyl-tin</synonym>
    <synonym>Hydroxytriphenyltin</synonym>
    <synonym>Ida, Imc Flo-Tin 4L</synonym>
    <synonym>Idrossido di stagno trifenile</synonym>
    <synonym>K 19</synonym>
    <synonym>K 19 (VAN)</synonym>
    <synonym>Kelthone</synonym>
    <synonym>Phenostat-a h</synonym>
    <synonym>Phenostat-h</synonym>
    <synonym>Quadrangle super-tin 4l</synonym>
    <synonym>Sn(OH)Ph3</synonym>
    <synonym>Stannane, hydroxytriphenyl-</synonym>
    <synonym>Stannol, triphenyl-</synonym>
    <synonym>Sunitron h</synonym>
    <synonym>Super tin</synonym>
    <synonym>Super tin 4 L</synonym>
    <synonym>Super tin 4l</synonym>
    <synonym>Super Tin 4L Gardian Flowable Fungicide</synonym>
    <synonym>Suzu h</synonym>
    <synonym>Suzu-h</synonym>
    <synonym>Tenhide</synonym>
    <synonym>Tin, hydroxytriphenyl-</synonym>
    <synonym>TPTH</synonym>
    <synonym>TPTH technical</synonym>
    <synonym>Tptoh</synonym>
    <synonym>Trifenyl-tinhydroxyde</synonym>
    <synonym>Trifenylstanniumhydroxid</synonym>
    <synonym>Triphenyl tin hydroxide</synonym>
    <synonym>Triphenyl-stannol</synonym>
    <synonym>Triphenyl-zinnhydroxid</synonym>
    <synonym>Triphenyl-zinnhydroxid (german)</synonym>
    <synonym>Triphenylhydroxytin</synonym>
    <synonym>Triphenylstannanol</synonym>
    <synonym>Triphenylstannium hydroxide</synonym>
    <synonym>Triphenylstannylium hydroxide</synonym>
    <synonym>Triphenyltin hydroxide</synonym>
    <synonym>Triphenyltin oxide</synonym>
    <synonym>Triphenyltin(IV) hydroxide</synonym>
    <synonym>Triphenytin hydroxide</synonym>
    <synonym>Triple tin</synonym>
    <synonym>Triple Tin 4l</synonym>
    <synonym>Vancide KS</synonym>
    <synonym>Vito spot fungicide</synonym>
    <synonym>Wesley technical triphenyltin hydroxide</synonym>
  </synonyms>
  <chemical_formula>C18H16OSn</chemical_formula>
  <average_molecular_weight>367.03</average_molecular_weight>
  <monisotopic_moleculate_weight>368.022311705</monisotopic_moleculate_weight>
  <iupac_name>triphenylstannanol</iupac_name>
  <traditional_iupac>triphenyltin hydroxide</traditional_iupac>
  <cas_registry_number>76-87-9</cas_registry_number>
  <smiles>O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1</smiles>
  <inchi>InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1</inchi>
  <inchikey>BFWMWWXRWVJXSE-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.</description>
    <direct_parent>Benzene and substituted derivatives</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Benzenoids</super_class>
    <class>Benzene and substituted derivatives</class>
    <sub_class/>
    <molecular_framework>Aromatic homomonocyclic compounds</molecular_framework>
    <alternative_parents>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Metal aryls</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic oxoanionic compounds</alternative_parent>
      <alternative_parent>Organic salts</alternative_parent>
      <alternative_parent>Organotin compounds</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Aromatic homomonocyclic compound</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Metal aryl</substituent>
      <substituent>Monocyclic benzene moiety</substituent>
      <substituent>Organic hydroxide</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic post-transition metal moeity</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organometallic compound</substituent>
      <substituent>Organotin compound</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>Organotin fungicides</external_descriptor>
      <external_descriptor>hydroxides</external_descriptor>
      <external_descriptor>organotin compound</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>4.38</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.39</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.49e-02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
    <property>
      <kind>melting_point</kind>
      <value>Mp 116-120° dec.</value>
    </property>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>2.61</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>8.49</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-5.6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>triphenylstannanol</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>367.03</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>368.022311705</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>O[Sn](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C18H16OSn</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;/q;;;;+1/p-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>BFWMWWXRWVJXSE-UHFFFAOYSA-M</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>20.23</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>78.99</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>31.02</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>131499</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::CMs</type>
      <spectrum_id>139233</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1323043</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1323044</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1323045</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1437412</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1437413</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>1437414</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2833152</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2833153</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2833154</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2849417</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2849418</spectrum_id>
    </spectrum>
    <spectrum>
      <type>Specdb::MsMs</type>
      <spectrum_id>2849419</spectrum_id>
    </spectrum>
  </spectra>
  <hmdb_id>HMDB31790</hmdb_id>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id>30473</chebi_id>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
    <reference>#&lt;Reference:0x000055ce315cb3e0&gt;</reference>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
