2-[[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[3-methyl-5-oxidanylidene-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[3-methyl-5-oxo-1-(3-sulfophenyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[5-keto-3-methyl-1-(3-sulfophenyl)-2-pyrazolin-4-yl]azo]benzoic acid Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C17H14N4O6S/c1-10-15(19-18-14-8-3-2-7-13(14)17(23)24)16(22)21(20-10)11-5-4-6-12(9-11)28(25,26)27/h2-9,15H,1H3,(H,23,24)(H,25,26,27)