2-(3-oxidanylidenebutanoyl)-5-(trifluoromethyl)thiobenzaldehyde

Systemtic Name: 2-(3-oxidanylidenebutanoyl)-5-(trifluoromethyl)thiobenzaldehyde Openeye Name: 2-(3-oxobutanoyl)-5-(trifluoromethyl)thiobenzaldehyde CAS Name: 2-(1,3-dioxobutyl)-5-(trifluoromethyl)thiobenzaldehyde IUPAC Name: 2-(3-oxobutanoyl)-5-(trifluoromethyl)thiobenzaldehyde Traditional Name: 2-acetoacetyl-5-(trifluoromethyl)thiobenzaldehyde Formula: C12H9F3O2S MolecularWeight: 274.25887

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=C(C=C(C=C1)C(F)(F)F)C=S

Isomeric SMILES

CC(=O)CC(=O)C1=C(C=C(C=C1)C(F)(F)F)C=S

InChI

InChI=1S/C12H9F3O2S/c1-7(16)4-11(17)10-3-2-9(12(13,14)15)5-8(10)6-18/h2-3,5-6H,4H2,1H3