methyl (2E)-2,3,5,5-tetradeuterio-4-(phenylmethyl)penta-2,4-dienoate

Systemtic Name: methyl (2E)-2,3,5,5-tetradeuterio-4-(phenylmethyl)penta-2,4-dienoate Openeye Name: methyl (2E)-4-benzyl-2,3,5,5-tetradeuterio-penta-2,4-dienoate CAS Name: (2E)-2,3,5,5-tetradeuterio-4-(phenylmethyl)penta-2,4-dienoic acid methyl ester IUPAC Name: methyl (2E)-4-benzyl-2,3,5,5-tetradeuteriopenta-2,4-dienoate Traditional Name: (2E)-4-benzyl-2,3,5,5-tetradeuterio-penta-2,4-dienoic acid methyl ester Formula: C13H14O2 MolecularWeight: 206.273707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=C)CC1=CC=CC=C1

Isomeric SMILES

[2H]C(=C(CC1=CC=CC=C1)/C(=C(\[2H])/C(=O)OC)/[2H])[2H]

InChI

InChI=1S/C13H14O2/c1-11(8-9-13(14)15-2)10-12-6-4-3-5-7-12/h3-9H,1,10H2,2H3/b9-8+/i1D2,8D,9D