3-(trifluoromethyl)heptyl 4-methylbenzenesulfonate

Systemtic Name: 3-(trifluoromethyl)heptyl 4-methylbenzenesulfonate Openeye Name: 3-(trifluoromethyl)heptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(trifluoromethyl)heptyl ester IUPAC Name: 3-(trifluoromethyl)heptyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(trifluoromethyl)heptyl ester Formula: C15H21F3O3S MolecularWeight: 338.38565

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)C(F)(F)F

Isomeric SMILES

CCCCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)C(F)(F)F

InChI

InChI=1S/C15H21F3O3S/c1-3-4-5-13(15(16,17)18)10-11-21-22(19,20)14-8-6-12(2)7-9-14/h6-9,13H,3-5,10-11H2,1-2H3