2-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-(dimethylamino)benzoic acid

Systemtic Name: 2-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-(dimethylamino)benzoic acid Openeye Name: 2-[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-3-(dimethylamino)benzoic acid CAS Name: 2-[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]azo-3-(dimethylamino)benzoic acid IUPAC Name: 2-[[2-carboxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-(dimethylamino)benzoic acid Traditional Name: 2-[2-carboxy-5-(2-sulfoxyethylsulfonyl)phenyl]azo-3-(dimethylamino)benzoic acid Formula: C18H19N3O10S2 MolecularWeight: 501.48756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O10S2/c1-21(2)15-5-3-4-13(18(24)25)16(15)20-19-14-10-11(6-7-12(14)17(22)23)32(26,27)9-8-31-33(28,29)30/h3-7,10H,8-9H2,1-2H3,(H,22,23)(H,24,25)(H,28,29,30)