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

Systemtic Name: 1-(4-bromanyl-2,3,5,6-tetradeuterio-phenyl)heptan-1-one Openeye Name: 1-(4-bromo-2,3,5,6-tetradeuterio-phenyl)heptan-1-one CAS Name: 1-(4-bromo-2,3,5,6-tetradeuteriophenyl)-1-heptanone IUPAC Name: 1-(4-bromo-2,3,5,6-tetradeuteriophenyl)heptan-1-one Traditional Name: 1-(4-bromo-2,3,5,6-tetradeuterio-phenyl)heptan-1-one Formula: C13H17BrO MolecularWeight: 273.202127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrO/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10H,2-6H2,1H3/i7D,8D,9D,10D