2,6,6-trimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]oxepan-3-one

Systemtic Name: 2,6,6-trimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]oxepan-3-one Openeye Name: 2,6,6-trimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]oxepan-3-one CAS Name: 2,6,6-trimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]-3-oxepanone IUPAC Name: 2,6,6-trimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]oxepan-3-one Traditional Name: 2,6,6-trimethyl-7-[(1E)-3-methylbuta-1,3-dienyl]oxepan-3-one Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CCC(C(O1)C=CC(=C)C)(C)C

Isomeric SMILES

CC1C(=O)CCC(C(O1)/C=C/C(=C)C)(C)C

InChI

InChI=1S/C14H22O2/c1-10(2)6-7-13-14(4,5)9-8-12(15)11(3)16-13/h6-7,11,13H,1,8-9H2,2-5H3/b7-6+