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

Systemtic Name: 2-(2-methoxy-4-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(2-methoxy-4-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(2-methoxy-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(2-methoxy-4-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 5-keto-1-(2-methoxy-4-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=CC(=C1)S(=O)(=O)O)N2C(=O)C=C(N2)C(=O)O

Isomeric SMILES

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

InChI

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