7,7-dideuterio-2,6,6-trimethyl-cyclohepta-2,4-dien-1-one

Systemtic Name: 7,7-dideuterio-2,6,6-trimethyl-cyclohepta-2,4-dien-1-one Openeye Name: 7,7-dideuterio-2,6,6-trimethyl-cyclohepta-2,4-dien-1-one CAS Name: 7,7-dideuterio-2,6,6-trimethyl-1-cyclohepta-2,4-dienone IUPAC Name: 7,7-dideuterio-2,6,6-trimethylcyclohepta-2,4-dien-1-one Traditional Name: 7,7-dideuterio-2,6,6-trimethyl-cyclohepta-2,4-dien-1-one Formula: C10H14O MolecularWeight: 152.229884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3/i7D2