1.0 2010-04-08 22:09:38 UTC 2015-07-20 22:40:22 UTC FDB011425 C.I. Acid Red 13 Food dye; banned in the USA in 1976 C.I. 16045 C.I. Acid Red 13, 8CI C.I. Food Red 4 Fast Red E C20H14N2O7S2 458.464 458.024242192 6-hydroxy-5-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2-sulfonic acid 6-hydroxy-5-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2-sulfonic acid 25317-26-4 OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1)S(O)(=O)=O InChI=1S/C20H14N2O7S2/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21+ NLWPUNWFCUWCEU-QURGRASLSA-N belongs to the class of organic compounds known as 1,1'-azonaphthalenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to the 1-position of a naphthalene ring system. Naphthalene is a compound made up of two fused benzene rings. 1,1'-azonaphthalenes Organic compounds Benzenoids Naphthalenes 1,1'-azonaphthalenes Aromatic homopolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-naphthalene sulfonates 1-naphthalene sulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonates 2-naphthalene sulfonic acids and derivatives Azo compounds Hydrocarbon derivatives Naphthols and derivatives Organic oxides Organooxygen compounds Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Sulfonyls 1,1'-azonaphthalene 1-hydroxy-2-unsubstituted benzenoid 1-naphthalene sulfonate 1-naphthalene sulfonic acid or derivatives 1-sulfo,2-unsubstituted aromatic compound 2-naphthalene sulfonate 2-naphthalene sulfonic acid or derivatives 2-naphthol Aromatic homopolycyclic compound Arylsulfonic acid or derivatives Azo compound Hydrocarbon derivative Naphthalene sulfonate Naphthalene sulfonic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfonyl logp 0.07 ALOGPS logs -4.60 ALOGPS solubility 1.16e-02 g/l ALOGPS logp 0.46 ChemAxon pka_strongest_acidic -3 ChemAxon pka_strongest_basic -0.93 ChemAxon iupac 6-hydroxy-5-[(E)-2-(4-sulfonaphthalen-1-yl)diazen-1-yl]naphthalene-2-sulfonic acid ChemAxon average_mass 458.464 ChemAxon mono_mass 458.024242192 ChemAxon smiles OC1=C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C2=CC=C(C=C2C=C1)S(O)(=O)=O ChemAxon formula C20H14N2O7S2 ChemAxon inchi InChI=1S/C20H14N2O7S2/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17/h1-11,23H,(H,24,25,26)(H,27,28,29)/b22-21+ ChemAxon inchikey NLWPUNWFCUWCEU-QURGRASLSA-N ChemAxon polar_surface_area 153.69 ChemAxon refractivity 116.5 ChemAxon polarizability 44.53 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18728 Specdb::CMs 43275 Specdb::CMs 131117 Specdb::CMs 138851 Specdb::MsMs 86613 Specdb::MsMs 86614 Specdb::MsMs 86615 Specdb::MsMs 148950 Specdb::MsMs 148951 Specdb::MsMs 148952 Specdb::MsMs 2417017 Specdb::MsMs 2417018 Specdb::MsMs 2417019 Specdb::MsMs 2549158 Specdb::MsMs 2549159 Specdb::MsMs 2549160 HMDB33392 #<Reference:0x00007f093c078798>