3-(dimethylamino)-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 3-(dimethylamino)-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 3-(dimethylamino)-2-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-benzenesulfonic acid CAS Name: 3-(dimethylamino)-2-[4-(2-sulfooxyethylsulfonyl)phenyl]azobenzenesulfonic acid IUPAC Name: 3-(dimethylamino)-2-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 3-(dimethylamino)-2-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-besylic acid Formula: C16H19N3O9S3 MolecularWeight: 493.53176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O9S3/c1-19(2)14-4-3-5-15(30(22,23)24)16(14)18-17-12-6-8-13(9-7-12)29(20,21)11-10-28-31(25,26)27/h3-9H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27)