[3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl] 4-methylbenzenesulfonate Openeye Name: [3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl] ester IUPAC Name: [3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-phenyl-3-[4-(trifluoromethyl)phenyl]propyl] ester Formula: C23H21F3O3S MolecularWeight: 434.47125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3O3S/c1-17-7-13-21(14-8-17)30(27,28)29-16-15-22(18-5-3-2-4-6-18)19-9-11-20(12-10-19)23(24,25)26/h2-14,22H,15-16H2,1H3