[2,2,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [2,2,4-trimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-3-en-1-yl] ethanoate Openeye Name: [2,2,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [2,2,4-trimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-3-enyl] ester IUPAC Name: [2,2,4-trimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [3-[(E)-3-ketobut-1-enyl]-2,2,4-trimethyl-cyclohex-3-en-1-yl] ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)OC(=O)C)(C)C)C=CC(=O)C

Isomeric SMILES

CC1=C(C(C(CC1)OC(=O)C)(C)C)/C=C/C(=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/h7-8,14H,6,9H2,1-5H3/b8-7+