4-[[4-(methylamino)-2-sulfo-phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid

Systemtic Name: 4-[[4-(methylamino)-2-sulfo-phenyl]diazenyl]-5-oxidanylidene-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Openeye Name: 4-[4-(methylamino)-2-sulfo-phenyl]azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid CAS Name: 4-[4-(methylamino)-2-sulfophenyl]azo-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid IUPAC Name: 4-[[4-(methylamino)-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-4-[4-(methylamino)-2-sulfo-phenyl]azo-1-(4-sulfophenyl)-2-pyrazoline-3-carboxylic acid Formula: C17H15N5O9S2 MolecularWeight: 497.4591

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H15N5O9S2/c1-18-9-2-7-12(13(8-9)33(29,30)31)19-20-14-15(17(24)25)21-22(16(14)23)10-3-5-11(6-4-10)32(26,27)28/h2-8,14,18H,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)