propyl [3,5-bis(trifluoromethyl)phenyl]methanesulfonate

Systemtic Name: propyl [3,5-bis(trifluoromethyl)phenyl]methanesulfonate Openeye Name: propyl [3,5-bis(trifluoromethyl)phenyl]methanesulfonate CAS Name: [3,5-bis(trifluoromethyl)phenyl]methanesulfonic acid propyl ester IUPAC Name: propyl [3,5-bis(trifluoromethyl)phenyl]methanesulfonate Traditional Name: [3,5-bis(trifluoromethyl)phenyl]methanesulfonic acid propyl ester Formula: C12H12F6O3S MolecularWeight: 350.277299

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Descriptors Computed from Structure

Canonical SMILES:

CCCOS(=O)(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCOS(=O)(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H12F6O3S/c1-2-3-21-22(19,20)7-8-4-9(11(13,14)15)6-10(5-8)12(16,17)18/h4-6H,2-3,7H2,1H3