3-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-benzenesulfonate

Systemtic Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-benzenesulfonate Openeye Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-benzenesulfonate CAS Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonate IUPAC Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonate Traditional Name: 3-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-besylate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=NNC(=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C2=NNC(=C2C)C

InChI

InChI=1S/C12H14N2O3S/c1-7-4-5-10(18(15,16)17)6-11(7)12-8(2)9(3)13-14-12/h4-6H,1-3H3,(H,13,14)(H,15,16,17)/p-1