(3E)-3,4,6,6-tetradeuterio-5-(phenylmethyl)hexa-3,5-dien-2-one

Systemtic Name: (3E)-3,4,6,6-tetradeuterio-5-(phenylmethyl)hexa-3,5-dien-2-one Openeye Name: (3E)-5-benzyl-3,4,6,6-tetradeuterio-hexa-3,5-dien-2-one CAS Name: (3E)-3,4,6,6-tetradeuterio-5-(phenylmethyl)-2-hexa-3,5-dienone IUPAC Name: (3E)-5-benzyl-3,4,6,6-tetradeuteriohexa-3,5-dien-2-one Traditional Name: (3E)-5-benzyl-3,4,6,6-tetradeuterio-hexa-3,5-dien-2-one Formula: C13H14O MolecularWeight: 190.274307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-9H,1,10H2,2H3/b9-8+/i1D2,8D,9D