3-(dimethylamino)-2-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid

Systemtic Name: 3-(dimethylamino)-2-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid Openeye Name: 3-(dimethylamino)-2-[3-(2-sulfooxyethylsulfonyl)phenyl]azo-benzoic acid CAS Name: 3-(dimethylamino)-2-[3-(2-sulfooxyethylsulfonyl)phenyl]azobenzoic acid IUPAC Name: 3-(dimethylamino)-2-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzoic acid Traditional Name: 3-(dimethylamino)-2-[3-(2-sulfoxyethylsulfonyl)phenyl]azo-benzoic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1N=NC2=CC(=CC=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O

Isomeric SMILES

CN(C)C1=CC=CC(=C1N=NC2=CC(=CC=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C17H19N3O8S2/c1-20(2)15-8-4-7-14(17(21)22)16(15)19-18-12-5-3-6-13(11-12)29(23,24)10-9-28-30(25,26)27/h3-8,11H,9-10H2,1-2H3,(H,21,22)(H,25,26,27)