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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1C(=C)C(CCC1(C)C)OC(=O)C

Isomeric SMILES

CC(=O)/C=C/[C@@H]1C(=C)[C@@H](CCC1(C)C)OC(=O)C

InChI

InChI=1S/C15H22O3/c1-10(16)6-7-13-11(2)14(18-12(3)17)8-9-15(13,4)5/h6-7,13-14H,2,8-9H2,1,3-5H3/b7-6+/t13-,14-/m1/s1