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

Systemtic Name: 2-[[4-(methylamino)phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-[4-(methylamino)phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-[4-(methylamino)phenyl]azo-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-[[4-(methylamino)phenyl]diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-[4-(methylamino)phenyl]azo-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C16H17N3O8S2 MolecularWeight: 443.45148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O8S2/c1-17-11-2-4-12(5-3-11)18-19-15-10-13(6-7-14(15)16(20)21)28(22,23)9-8-27-29(24,25)26/h2-7,10,17H,8-9H2,1H3,(H,20,21)(H,24,25,26)