4-(3,5-dimethylpyrazol-1-yl)benzenesulfonate

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonate Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzenesulfonate IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)besylate Formula: C11H11N2O3S- MolecularWeight: 251.28164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)[O-])C

InChI

InChI=1S/C11H12N2O3S/c1-8-7-9(2)13(12-8)10-3-5-11(6-4-10)17(14,15)16/h3-7H,1-2H3,(H,14,15,16)/p-1