2-[[4-(methylamino)-3-sulfo-phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid

Systemtic Name: 2-[[4-(methylamino)-3-sulfo-phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-[4-(methylamino)-3-sulfo-phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-[4-(methylamino)-3-sulfophenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-[[4-(methylamino)-3-sulfophenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-[4-(methylamino)-3-sulfo-phenyl]azo-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C16H17N3O11S3 MolecularWeight: 523.51468

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CNC1=C(C=C(C=C1)N=NC2=C(C=CC(=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H17N3O11S3/c1-17-13-5-2-10(8-15(13)32(24,25)26)18-19-14-9-11(3-4-12(14)16(20)21)31(22,23)7-6-30-33(27,28)29/h2-5,8-9,17H,6-7H2,1H3,(H,20,21)(H,24,25,26)(H,27,28,29)