[(1S,3R)-2,2-dimethyl-4-methylidene-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohexyl] ethanoate

Systemtic Name: [(1S,3R)-2,2-dimethyl-4-methylidene-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohexyl] ethanoate Openeye Name: [(1S,3R)-2,2-dimethyl-4-methylene-3-[(E)-3-oxobut-1-enyl]cyclohexyl] acetate CAS Name: acetic acid [(1S,3R)-2,2-dimethyl-4-methylene-3-[(E)-3-oxobut-1-enyl]cyclohexyl] ester IUPAC Name: [(1S,3R)-2,2-dimethyl-4-methylidene-3-[(E)-3-oxobut-1-enyl]cyclohexyl] acetate Traditional Name: acetic acid [(1S,3R)-3-[(E)-3-ketobut-1-enyl]-2,2-dimethyl-4-methylene-cyclohexyl] ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(=C)CCC(C1(C)C)OC(=O)C

Isomeric SMILES

CC(=O)/C=C/[C@@H]1C(=C)CC[C@@H](C1(C)C)OC(=O)C

InChI

InChI=1S/C15H22O3/c1-10-6-9-14(18-12(3)17)15(4,5)13(10)8-7-11(2)16/h7-8,13-14H,1,6,9H2,2-5H3/b8-7+/t13-,14+/m1/s1