[1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl ester IUPAC Name: [1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[3,5-bis(trifluoromethyl)phenyl]cyclopentyl]methyl ester Formula: C21H20F6O3S MolecularWeight: 466.437119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCC2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H20F6O3S/c1-14-4-6-18(7-5-14)31(28,29)30-13-19(8-2-3-9-19)15-10-16(20(22,23)24)12-17(11-15)21(25,26)27/h4-7,10-12H,2-3,8-9,13H2,1H3