[4-(3-oxidanylidenebutyl)phenyl] 2,2,2-tris(chloranyl)ethanoate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2,2,2-tris(chloranyl)ethanoate Openeye Name: [4-(3-oxobutyl)phenyl] 2,2,2-trichloroacetate CAS Name: 2,2,2-trichloroacetic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2,2,2-trichloroacetate Traditional Name: 2,2,2-trichloroacetic acid [4-(3-ketobutyl)phenyl] ester Formula: C12H11Cl3O3 MolecularWeight: 309.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H11Cl3O3/c1-8(16)2-3-9-4-6-10(7-5-9)18-11(17)12(13,14)15/h4-7H,2-3H2,1H3