methyl (E)-4-methyl-4-(4-oxidanylidenecyclohexyl)pent-2-enoate

Systemtic Name: methyl (E)-4-methyl-4-(4-oxidanylidenecyclohexyl)pent-2-enoate Openeye Name: methyl (E)-4-methyl-4-(4-oxocyclohexyl)pent-2-enoate CAS Name: (E)-4-methyl-4-(4-oxocyclohexyl)-2-pentenoic acid methyl ester IUPAC Name: methyl (E)-4-methyl-4-(4-oxocyclohexyl)pent-2-enoate Traditional Name: (E)-4-(4-ketocyclohexyl)-4-methyl-pent-2-enoic acid methyl ester Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=CC(=O)OC)C1CCC(=O)CC1

Isomeric SMILES

CC(C)(/C=C/C(=O)OC)C1CCC(=O)CC1

InChI

InChI=1S/C13H20O3/c1-13(2,9-8-12(15)16-3)10-4-6-11(14)7-5-10/h8-10H,4-7H2,1-3H3/b9-8+