2-[(4-dimethylaminophenyl)diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Openeye Name: 2-(4-dimethylaminophenyl)azo-4-(2-sulfooxyethylsulfonyl)benzoic acid CAS Name: 2-(4-dimethylaminophenyl)azo-4-(2-sulfooxyethylsulfonyl)benzoic acid IUPAC Name: 2-[(4-dimethylaminophenyl)diazenyl]-4-(2-sulfooxyethylsulfonyl)benzoic acid Traditional Name: 2-(4-dimethylaminophenyl)azo-4-(2-sulfoxyethylsulfonyl)benzoic acid Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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