3-(dimethylamino)-2-[[2-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 3-(dimethylamino)-2-[[2-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 3-(dimethylamino)-2-[2-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]azo-benzenesulfonic acid CAS Name: 3-(dimethylamino)-2-[2-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]azobenzenesulfonic acid IUPAC Name: 3-(dimethylamino)-2-[[2-sulfo-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 3-(dimethylamino)-2-[2-sulfo-5-(2-sulfoxyethylsulfonyl)phenyl]azo-besylic acid Formula: C16H19N3O12S4 MolecularWeight: 573.59496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O12S4/c1-19(2)13-4-3-5-15(34(25,26)27)16(13)18-17-12-10-11(6-7-14(12)33(22,23)24)32(20,21)9-8-31-35(28,29)30/h3-7,10H,8-9H2,1-2H3,(H,22,23,24)(H,25,26,27)(H,28,29,30)