methyl 5-(2-methyl-6-oxidanylidene-cyclohexyl)pent-2-ynoate

Systemtic Name: methyl 5-(2-methyl-6-oxidanylidene-cyclohexyl)pent-2-ynoate Openeye Name: methyl 5-(2-methyl-6-oxo-cyclohexyl)pent-2-ynoate CAS Name: 5-(2-methyl-6-oxocyclohexyl)-2-pentynoic acid methyl ester IUPAC Name: methyl 5-(2-methyl-6-oxocyclohexyl)pent-2-ynoate Traditional Name: 5-(2-keto-6-methyl-cyclohexyl)pent-2-ynoic acid methyl ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1CCC#CC(=O)OC

Isomeric SMILES

CC1CCCC(=O)C1CCC#CC(=O)OC

InChI

InChI=1S/C13H18O3/c1-10-6-5-8-12(14)11(10)7-3-4-9-13(15)16-2/h10-11H,3,5-8H2,1-2H3