2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfonyl]acetic acid CAS Name: 2-[(2-ethyl-5-methyl-3-pyrazolyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfonyl]acetic acid Traditional Name: 2-[(2-ethyl-5-methyl-pyrazol-3-yl)methylsulfonyl]acetic acid Formula: C9H14N2O4S MolecularWeight: 246.28346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)CS(=O)(=O)CC(=O)O

Isomeric SMILES

CCN1C(=CC(=N1)C)CS(=O)(=O)CC(=O)O

InChI

InChI=1S/C9H14N2O4S/c1-3-11-8(4-7(2)10-11)5-16(14,15)6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13)