1.0 2010-04-08 22:09:07 UTC 2018-05-28 23:28:00 UTC FDB010438 N-Undecylbenzenesulfonic acid It is used as a food additive . 4-Undecyl-benzenesulfonic acid Alkyl(C11)benzenesulfonic acid Benzenesulfonic acid, 4-undecyl- Benzenesulfonic acid, undecyl- Undecyl-benzenesulfonic acid Undecylbenzenesulfonic acid Undecylbenzenesulphonic acid C17H28O3S 312.467 312.175915452 4-undecylbenzene-1-sulfonic acid 4-undecylbenzenesulfonic acid 50854-94-9 CCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20/h12-15H,2-11H2,1H3,(H,18,19,20) UCDCOJNNUVYFKJ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring. Benzenesulfonic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Aromatic homomonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organosulfonic acids Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Sulfonyl logp 3.48 ALOGPS logs -5.77 ALOGPS solubility 5.33e-04 g/l ALOGPS logp 6.11 ChemAxon pka_strongest_acidic -1.8 ChemAxon iupac 4-undecylbenzene-1-sulfonic acid ChemAxon average_mass 312.467 ChemAxon mono_mass 312.175915452 ChemAxon smiles CCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O ChemAxon formula C17H28O3S ChemAxon inchi InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(15-13-16)21(18,19)20/h12-15H,2-11H2,1H3,(H,18,19,20) ChemAxon inchikey UCDCOJNNUVYFKJ-UHFFFAOYSA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 87.73 ChemAxon polarizability 37.46 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16743 Specdb::CMs 148242 Specdb::MsMs 95196 Specdb::MsMs 95197 Specdb::MsMs 95198 Specdb::MsMs 159387 Specdb::MsMs 159388 Specdb::MsMs 159389 Specdb::MsMs 2824723 Specdb::MsMs 2824724 Specdb::MsMs 2824725 Specdb::MsMs 2853982 Specdb::MsMs 2853983 Specdb::MsMs 2853984 HMDB32549 #<Reference:0x000055ce32b02a60>