5-ethanoyl-2-methyl-pyrazole-3-sulfonic acid

Systemtic Name: 5-ethanoyl-2-methyl-pyrazole-3-sulfonic acid Openeye Name: 5-acetyl-2-methyl-pyrazole-3-sulfonic acid CAS Name: 5-acetyl-2-methyl-3-pyrazolesulfonic acid IUPAC Name: 5-acetyl-2-methylpyrazole-3-sulfonic acid Traditional Name: 5-acetyl-2-methyl-pyrazole-3-sulfonic acid Formula: C6H8N2O4S MolecularWeight: 204.20372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=C1)S(=O)(=O)O)C

Isomeric SMILES

CC(=O)C1=NN(C(=C1)S(=O)(=O)O)C

InChI

InChI=1S/C6H8N2O4S/c1-4(9)5-3-6(8(2)7-5)13(10,11)12/h3H,1-2H3,(H,10,11,12)