2-[[2-(dimethylamino)-6-sulfo-phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid

Systemtic Name: 2-[[2-(dimethylamino)-6-sulfo-phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-[2-(dimethylamino)-6-sulfo-phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-[2-(dimethylamino)-6-sulfophenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-[[2-(dimethylamino)-6-sulfophenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-[2-(dimethylamino)-6-sulfo-phenyl]azo-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C17H19N3O11S3 MolecularWeight: 537.54126

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=CC=C1)S(=O)(=O)O)N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=C(C(=CC=C1)S(=O)(=O)O)N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C17H19N3O11S3/c1-20(2)14-4-3-5-15(33(25,26)27)16(14)19-18-13-10-11(6-7-12(13)17(21)22)32(23,24)9-8-31-34(28,29)30/h3-7,10H,8-9H2,1-2H3,(H,21,22)(H,25,26,27)(H,28,29,30)