(E)-4-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-one

Systemtic Name: (E)-4-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-one Openeye Name: (E)-4-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-one CAS Name: (E)-4-(2,3,4,5,6-pentadeuteriophenyl)-3-buten-2-one IUPAC Name: (E)-4-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-one Traditional Name: (E)-4-(2,3,4,5,6-pentadeuteriophenyl)but-3-en-2-one Formula: C10H10O MolecularWeight: 151.216609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])/C=C/C(=O)C)[2H])[2H]

InChI

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+/i2D,3D,4D,5D,6D