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

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]propyl 4-methylbenzenesulfonate Openeye Name: 3-[3-(trifluoromethyl)phenyl]propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-[3-(trifluoromethyl)phenyl]propyl ester IUPAC Name: 3-[3-(trifluoromethyl)phenyl]propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-[3-(trifluoromethyl)phenyl]propyl ester Formula: C17H17F3O3S MolecularWeight: 358.37529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3O3S/c1-13-7-9-16(10-8-13)24(21,22)23-11-3-5-14-4-2-6-15(12-14)17(18,19)20/h2,4,6-10,12H,3,5,11H2,1H3