5-methyl-1-methylsulfonyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-methyl-1-methylsulfonyl-pyrazole-4-carboxylic acid Openeye Name: 5-methyl-1-methylsulfonyl-pyrazole-4-carboxylic acid CAS Name: 5-methyl-1-methylsulfonyl-4-pyrazolecarboxylic acid IUPAC Name: 5-methyl-1-methylsulfonylpyrazole-4-carboxylic acid Traditional Name: 1-mesyl-5-methyl-pyrazole-4-carboxylic acid Formula: C6H8N2O4S MolecularWeight: 204.20372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=NN1S(=O)(=O)C)C(=O)O

InChI

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