1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylic acid Openeye Name: 1-(3-aminophenyl)-4-[2-methoxy-4-(3-sulfophenyl)azo-phenyl]azo-pyrazole-3-carboxylic acid CAS Name: 1-(3-aminophenyl)-4-[2-methoxy-4-(3-sulfophenyl)azophenyl]azo-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-aminophenyl)-4-[[2-methoxy-4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]pyrazole-3-carboxylic acid Traditional Name: 1-(3-aminophenyl)-4-[2-methoxy-4-(3-sulfophenyl)azo-phenyl]azo-pyrazole-3-carboxylic acid Formula: C23H19N7O6S MolecularWeight: 521.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3=CN(N=C3C(=O)O)C4=CC(=CC=C4)N

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3=CN(N=C3C(=O)O)C4=CC(=CC=C4)N

InChI

InChI=1S/C23H19N7O6S/c1-36-21-12-16(26-25-15-5-3-7-18(11-15)37(33,34)35)8-9-19(21)27-28-20-13-30(29-22(20)23(31)32)17-6-2-4-14(24)10-17/h2-13H,24H2,1H3,(H,31,32)(H,33,34,35)