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

Systemtic Name: ethyl 2-[(4-butylsulfanylphenyl)methyl]-4,4,4-tris(fluoranyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[(4-butylsulfanylphenyl)methyl]-4,4,4-trifluoro-3-oxo-butanoate CAS Name: 2-[[4-(butylthio)phenyl]methyl]-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylsulfanylphenyl)methyl]-4,4,4-trifluoro-3-oxobutanoate Traditional Name: 2-[4-(butylthio)benzyl]-4,4,4-trifluoro-3-keto-butyric acid ethyl ester Formula: C17H21F3O3S MolecularWeight: 362.40705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)CC(C(=O)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)CC(C(=O)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C17H21F3O3S/c1-3-5-10-24-13-8-6-12(7-9-13)11-14(16(22)23-4-2)15(21)17(18,19)20/h6-9,14H,3-5,10-11H2,1-2H3