ethyl 2-[(4-butylphenyl)methyl]-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[(4-butylphenyl)methyl]-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(4-butylphenyl)methyl]-4,4,4-trifluoro-3-oxo-butanoate CAS Name: 2-[(4-butylphenyl)methyl]-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylphenyl)methyl]-4,4,4-trifluoro-3-oxobutanoate Traditional Name: 2-(4-butylbenzyl)-4,4,4-trifluoro-3-keto-butyric acid ethyl ester Formula: C17H21F3O3 MolecularWeight: 330.34205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(C(=O)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(C(=O)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C17H21F3O3/c1-3-5-6-12-7-9-13(10-8-12)11-14(16(22)23-4-2)15(21)17(18,19)20/h7-10,14H,3-6,11H2,1-2H3