1-(4-bromanyl-2,3,5,6-tetradeuterio-phenyl)hex-5-en-1-one

Systemtic Name: 1-(4-bromanyl-2,3,5,6-tetradeuterio-phenyl)hex-5-en-1-one Openeye Name: 1-(4-bromo-2,3,5,6-tetradeuterio-phenyl)hex-5-en-1-one CAS Name: 1-(4-bromo-2,3,5,6-tetradeuteriophenyl)-5-hexen-1-one IUPAC Name: 1-(4-bromo-2,3,5,6-tetradeuteriophenyl)hex-5-en-1-one Traditional Name: 1-(4-bromo-2,3,5,6-tetradeuterio-phenyl)hex-5-en-1-one Formula: C12H13BrO MolecularWeight: 257.159667

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1C(=O)CCCC=C)[2H])[2H])Br)[2H]

InChI

InChI=1S/C12H13BrO/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h2,6-9H,1,3-5H2/i6D,7D,8D,9D