4-(trifluoromethyl)octyl 4-methylbenzenesulfonate

Systemtic Name: 4-(trifluoromethyl)octyl 4-methylbenzenesulfonate Openeye Name: 4-(trifluoromethyl)octyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(trifluoromethyl)octyl ester IUPAC Name: 4-(trifluoromethyl)octyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-(trifluoromethyl)octyl ester Formula: C16H23F3O3S MolecularWeight: 352.41223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23F3O3S/c1-3-4-6-14(16(17,18)19)7-5-12-22-23(20,21)15-10-8-13(2)9-11-15/h8-11,14H,3-7,12H2,1-2H3