(4-methanoyl-2,5-dimethyl-pyrazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-methanoyl-2,5-dimethyl-pyrazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (4-formyl-2,5-dimethyl-pyrazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-formyl-2,5-dimethyl-3-pyrazolyl) ester IUPAC Name: (4-formyl-2,5-dimethylpyrazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-formyl-2,5-dimethyl-pyrazol-3-yl) ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C=O

InChI

InChI=1S/C13H14N2O4S/c1-9-4-6-11(7-5-9)20(17,18)19-13-12(8-16)10(2)14-15(13)3/h4-8H,1-3H3