2-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 2-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 2-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 2-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 2-[3-(2-hydroxyethylsulfonyl)phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 1-[3-(2-hydroxyethylsulfonyl)phenyl]-5-keto-3-pyrazoline-3-carboxylic acid Formula: C12H12N2O6S MolecularWeight: 312.29848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6S/c15-4-5-21(19,20)9-3-1-2-8(6-9)14-11(16)7-10(13-14)12(17)18/h1-3,6-7,13,15H,4-5H2,(H,17,18)