(5-methanoyl-2,6,6-trimethyl-cyclohexen-1-yl)methyl ethanoate

Systemtic Name: (5-methanoyl-2,6,6-trimethyl-cyclohexen-1-yl)methyl ethanoate Openeye Name: (5-formyl-2,6,6-trimethyl-cyclohexen-1-yl)methyl acetate CAS Name: acetic acid (5-formyl-2,6,6-trimethyl-1-cyclohexenyl)methyl ester IUPAC Name: (5-formyl-2,6,6-trimethylcyclohexen-1-yl)methyl acetate Traditional Name: acetic acid (5-formyl-2,6,6-trimethyl-cyclohexen-1-yl)methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)C=O)(C)C)COC(=O)C

Isomeric SMILES

CC1=C(C(C(CC1)C=O)(C)C)COC(=O)C

InChI

InChI=1S/C13H20O3/c1-9-5-6-11(7-14)13(3,4)12(9)8-16-10(2)15/h7,11H,5-6,8H2,1-4H3