[(E,2S)-1,1,1-tris(chloranyl)-4-phenyl-but-3-en-2-yl] benzoate

Systemtic Name: [(E,2S)-1,1,1-tris(chloranyl)-4-phenyl-but-3-en-2-yl] benzoate Openeye Name: [(E,1S)-3-phenyl-1-(trichloromethyl)allyl] benzoate CAS Name: benzoic acid [(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] ester IUPAC Name: [(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S)-3-phenyl-1-(trichloromethyl)allyl] ester Formula: C17H13Cl3O2 MolecularWeight: 355.64292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C/[C@@H](C(Cl)(Cl)Cl)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H13Cl3O2/c18-17(19,20)15(12-11-13-7-3-1-4-8-13)22-16(21)14-9-5-2-6-10-14/h1-12,15H/b12-11+/t15-/m0/s1