3-methylheptyl 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: 3-methylheptyl 4-(trifluoromethyl)benzenesulfonate Openeye Name: 3-methylheptyl 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(trifluoromethyl)benzenesulfonic acid 3-methylheptyl ester IUPAC Name: 3-methylheptyl 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-(trifluoromethyl)benzenesulfonic acid 3-methylheptyl ester Formula: C15H21F3O3S MolecularWeight: 338.38565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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