[3,5-bis(trifluoromethyl)phenyl]methyl butanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl butanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl butanoate CAS Name: butanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl butanoate Traditional Name: butyric acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C13H12F6O2 MolecularWeight: 314.223599

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCC(=O)OCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H12F6O2/c1-2-3-11(20)21-7-8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-6H,2-3,7H2,1H3