[3-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C14H11F3O3S MolecularWeight: 316.29555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C14H11F3O3S/c1-10-5-7-13(8-6-10)21(18,19)20-12-4-2-3-11(9-12)14(15,16)17/h2-9H,1H3