(E)-1-(2,6,6-trimethylcyclohexen-1-yl)hept-1-en-6-yn-3-one

Systemtic Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)hept-1-en-6-yn-3-one Openeye Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)hept-1-en-6-yn-3-one CAS Name: (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-3-hept-1-en-6-ynone IUPAC Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)hept-1-en-6-yn-3-one Traditional Name: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)hept-1-en-6-yn-3-one Formula: C16H22O MolecularWeight: 230.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=O)CCC#C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=O)CCC#C

InChI

InChI=1S/C16H22O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h1,10-11H,6-9,12H2,2-4H3/b11-10+