1,1,1-tris(fluoranyl)octan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-methylbenzenesulfonate Openeye Name: 1-(trifluoromethyl)heptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(trifluoromethyl)heptyl ester Formula: C15H21F3O3S MolecularWeight: 338.38565

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCC(C(F)(F)F)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H21F3O3S/c1-3-4-5-6-7-14(15(16,17)18)21-22(19,20)13-10-8-12(2)9-11-13/h8-11,14H,3-7H2,1-2H3