5-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-[(2Z)-2-[3-methyl-5-oxidanylidene-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid Openeye Name: 5-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazino]-1H-pyrazole-4-carboxylic acid CAS Name: 5-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)-4-pyrazolylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]hydrazinyl]-1H-pyrazole-4-carboxylic acid Traditional Name: 5-[(N'Z)-N'-[5-keto-3-methyl-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene]hydrazino]-1H-pyrazole-4-carboxylic acid Formula: C14H12N6O6S MolecularWeight: 392.34668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C=NN2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=C(C=NN2)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H12N6O6S/c1-7-11(16-18-12-10(14(22)23)6-15-17-12)13(21)20(19-7)8-2-4-9(5-3-8)27(24,25)26/h2-6H,1H3,(H,22,23)(H2,15,17,18)(H,24,25,26)/b16-11-