1.0 2010-04-08 22:13:25 UTC 2025-11-19 02:07:16 UTC FDB017969 Erioglaucine A disodium salt It is used as a food additive Brilliant blue 9 disodium salt Erioglaucine A disodium salt Food blue 1 disodium salt C37H34N2Na2O9S3 792.848 792.122182116 disodium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]phenyl})amino]methyl}benzene-1-sulfonate disodium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]iminio}cyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]phenyl})amino]methyl}benzenesulfonate 3844-45-9 [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O)C1=CC=CC=C1S([O-])(=O)=O InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 SGHZXLIDFTYFHQ-UHFFFAOYSA-L belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. Phenylbenzamines Organic compounds Benzenoids Benzene and substituted derivatives Phenylmethylamines Aromatic homomonocyclic compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Aralkylamines Azomethines Benzenesulfonic acids and derivatives Benzenesulfonyl compounds Benzylamines Dialkylarylamines Diphenylmethanes Hydrocarbon derivatives Organic oxides Organic sodium salts Organopnictogen compounds Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Secondary ketimines Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Amine Aniline or substituted anilines Aralkylamine Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Azomethine Benzenesulfonate Benzenesulfonyl group Benzylamine Dialkylarylamine Diphenylmethane Hydrocarbon derivative Organic 1,3-dipolar compound Organic alkali metal salt Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenylbenzamine Propargyl-type 1,3-dipolar organic compound Secondary ketimine Sulfonyl Tertiary aliphatic/aromatic amine Tertiary amine organic molecular entity solid logp 1.95 ALOGPS logs -6.95 ALOGPS solubility 9.47e-05 g/l ALOGPS logp 2.65 ChemAxon pka_strongest_acidic -2.4 ChemAxon pka_strongest_basic 3.5 ChemAxon iupac disodium 3-{[ethyl({4-[(4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]phenyl})amino]methyl}benzene-1-sulfonate ChemAxon average_mass 792.848 ChemAxon mono_mass 792.122182116 ChemAxon smiles [Na+].[Na+].CCN(CC1=CC(=CC=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(=C1C=CC(C=C1)=[N+](CC)CC1=CC=CC(=C1)S([O-])(=O)=O)C1=CC=CC=C1S([O-])(=O)=O ChemAxon formula C37H34N2Na2O9S3 ChemAxon inchi InChI=1S/C37H36N2O9S3.2Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2 ChemAxon inchikey SGHZXLIDFTYFHQ-UHFFFAOYSA-L ChemAxon polar_surface_area 177.85 ChemAxon refractivity 218.8 ChemAxon polarizability 75.38 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 0 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 306037 Specdb::MsMs 306038 Specdb::MsMs 306039 Specdb::MsMs 349567 Specdb::MsMs 349568 Specdb::MsMs 349569 Specdb::CMs 58548 HMDB38579