1-(2-ethylsulfonylethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-ethylsulfonylethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-ethylsulfonylethyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-ethylsulfonylethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-ethylsulfonylethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-esylethyl)pyrazole-4-carboxylic acid Formula: C8H12N2O4S MolecularWeight: 232.25688

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=C(C=N1)C(=O)O

Isomeric SMILES

CCS(=O)(=O)CCN1C=C(C=N1)C(=O)O

InChI

InChI=1S/C8H12N2O4S/c1-2-15(13,14)4-3-10-6-7(5-9-10)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)