3,5-dimethyl-1-(phenylmethyl)pyrazole-4-sulfonate

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-sulfonate Openeye Name: 1-benzyl-3,5-dimethyl-pyrazole-4-sulfonate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolesulfonate IUPAC Name: 1-benzyl-3,5-dimethylpyrazole-4-sulfonate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-sulfonate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c1-9-12(18(15,16)17)10(2)14(13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16,17)/p-1