[2,6-dideuterio-4-(phenylcarbonyl)phenyl] (E)-hex-3-enoate

Systemtic Name: [2,6-dideuterio-4-(phenylcarbonyl)phenyl] (E)-hex-3-enoate Openeye Name: (4-benzoyl-2,6-dideuterio-phenyl) (E)-hex-3-enoate CAS Name: (E)-3-hexenoic acid (4-benzoyl-2,6-dideuteriophenyl) ester IUPAC Name: (4-benzoyl-2,6-dideuteriophenyl) (E)-hex-3-enoate Traditional Name: (E)-hex-3-enoic acid (4-benzoyl-2,6-dideuterio-phenyl) ester Formula: C19H18O3 MolecularWeight: 296.356744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(=O)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

[2H]C1=CC(=CC(=C1OC(=O)C/C=C/CC)[2H])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18O3/c1-2-3-5-10-18(20)22-17-13-11-16(12-14-17)19(21)15-8-6-4-7-9-15/h3-9,11-14H,2,10H2,1H3/b5-3+/i13D,14D