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

Systemtic Name: 2-(4-ethoxy-2-sulfo-phenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-(4-ethoxy-2-sulfo-phenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-(4-ethoxy-2-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-(4-ethoxy-2-sulfophenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-(4-ethoxy-2-sulfo-phenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=O)C=C(N2)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H12N2O7S/c1-2-21-7-3-4-9(10(5-7)22(18,19)20)14-11(15)6-8(13-14)12(16)17/h3-6,13H,2H2,1H3,(H,16,17)(H,18,19,20)