[3,5-bis(trifluoromethyl)phenyl]methyl 2-methylbutanoate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-methylbutanoate Openeye Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid [3,5-bis(trifluoromethyl)benzyl] ester Formula: C14H14F6O2 MolecularWeight: 328.250179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F6O2/c1-3-8(2)12(21)22-7-9-4-10(13(15,16)17)6-11(5-9)14(18,19)20/h4-6,8H,3,7H2,1-2H3