[(E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)pent-2-en-4-ynyl] ethanoate

Systemtic Name: [(E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)pent-2-en-4-ynyl] ethanoate Openeye Name: [(E)-5-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynyl] acetate CAS Name: acetic acid [(E)-5-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3-methylpent-2-en-4-ynyl] ester IUPAC Name: [(E)-5-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3-methylpent-2-en-4-ynyl] acetate Traditional Name: acetic acid [(E)-5-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-pent-2-en-4-ynyl] ester Formula: C17H24O3 MolecularWeight: 276.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1)O)(C)C)C#CC(=CCOC(=O)C)C

Isomeric SMILES

CC1=C(C(CC(C1)O)(C)C)C#C/C(=C/COC(=O)C)/C

InChI

InChI=1S/C17H24O3/c1-12(8-9-20-14(3)18)6-7-16-13(2)10-15(19)11-17(16,4)5/h8,15,19H,9-11H2,1-5H3/b12-8+