2-(4-methoxy-3-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-(4-methoxy-3-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-methoxy-3-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-methoxy-3-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-methoxy-3-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 5-keto-1-(4-methoxy-3-sulfo-phenyl)-3-pyrazoline-3-carboxylic acid Formula: C11H10N2O7S MolecularWeight: 314.2713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H10N2O7S/c1-20-8-3-2-6(4-9(8)21(17,18)19)13-10(14)5-7(12-13)11(15)16/h2-5,12H,1H3,(H,15,16)(H,17,18,19)