[2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-(3-methylphenyl)-5-(trifluoromethyl)-3-pyrazolyl] ester IUPAC Name: [2-(3-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-(m-tolyl)-5-(trifluoromethyl)pyrazol-3-yl] ester Formula: C18H15F3N2O4S MolecularWeight: 412.38291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)OS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H15F3N2O4S/c1-12-4-3-5-13(10-12)23-17(11-16(22-23)18(19,20)21)27-28(24,25)15-8-6-14(26-2)7-9-15/h3-11H,1-2H3