methyl (E)-3-(2,2,4-trimethyl-6-oxidanylidene-cyclohexyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2,2,4-trimethyl-6-oxidanylidene-cyclohexyl)prop-2-enoate Openeye Name: methyl (E)-3-(2,2,4-trimethyl-6-oxo-cyclohexyl)prop-2-enoate CAS Name: (E)-3-(2,2,4-trimethyl-6-oxocyclohexyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2,2,4-trimethyl-6-oxocyclohexyl)prop-2-enoate Traditional Name: (E)-3-(6-keto-2,2,4-trimethyl-cyclohexyl)acrylic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(C1)(C)C)C=CC(=O)OC

Isomeric SMILES

CC1CC(=O)C(C(C1)(C)C)/C=C/C(=O)OC

InChI

InChI=1S/C13H20O3/c1-9-7-11(14)10(13(2,3)8-9)5-6-12(15)16-4/h5-6,9-10H,7-8H2,1-4H3/b6-5+