5-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzoic acid

Systemtic Name: 5-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzoic acid Openeye Name: 5-[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(methylamino)benzoic acid CAS Name: 5-[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-2-(methylamino)benzoic acid IUPAC Name: 5-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-2-(methylamino)benzoic acid Traditional Name: 5-[2-carboxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-2-(methylamino)benzoic acid Formula: C17H17N3O10S2 MolecularWeight: 487.46098

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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)C(=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)C(=O)O

InChI

InChI=1S/C17H17N3O10S2/c1-18-14-5-2-10(8-13(14)17(23)24)19-20-15-9-11(3-4-12(15)16(21)22)31(25,26)7-6-30-32(27,28)29/h2-5,8-9,18H,6-7H2,1H3,(H,21,22)(H,23,24)(H,27,28,29)