1-phenylethyl 4,4,4-tris(chloranyl)-3-phenyl-butanoate

Systemtic Name: 1-phenylethyl 4,4,4-tris(chloranyl)-3-phenyl-butanoate Openeye Name: 1-phenylethyl 4,4,4-trichloro-3-phenyl-butanoate CAS Name: 4,4,4-trichloro-3-phenylbutanoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4,4,4-trichloro-3-phenylbutanoate Traditional Name: 4,4,4-trichloro-3-phenyl-butyric acid 1-phenylethyl ester Formula: C18H17Cl3O2 MolecularWeight: 371.68538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC(=O)CC(C2=CC=CC=C2)C(Cl)(Cl)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)OC(=O)CC(C2=CC=CC=C2)C(Cl)(Cl)Cl

InChI

InChI=1S/C18H17Cl3O2/c1-13(14-8-4-2-5-9-14)23-17(22)12-16(18(19,20)21)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3