(2,5-diphenylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate

Systemtic Name: (2,5-diphenylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Openeye Name: (2,5-diphenylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid (2,5-diphenyl-3-pyrazolyl) ester IUPAC Name: (2,5-diphenylpyrazol-3-yl) 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid (2,5-diphenylpyrazol-3-yl) ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O3S/c1-17-14-18(2)24(19(3)15-17)30(27,28)29-23-16-22(20-10-6-4-7-11-20)25-26(23)21-12-8-5-9-13-21/h4-16H,1-3H3