(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) 2,4,5-trimethylbenzenesulfonate

Systemtic Name: (1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl) 2,4,5-trimethylbenzenesulfonate Openeye Name: (1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl) 2,4,5-trimethylbenzenesulfonate CAS Name: 2,4,5-trimethylbenzenesulfonic acid (1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl) ester IUPAC Name: (1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl) 2,4,5-trimethylbenzenesulfonate Traditional Name: 2,4,5-trimethylbenzenesulfonic acid (3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C

InChI

InChI=1S/C20H22N2O4S/c1-13-11-15(3)18(12-14(13)2)27(24,25)26-19-16(4)21(5)22(20(19)23)17-9-7-6-8-10-17/h6-12H,1-5H3