[(1R,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] butanoate

Systemtic Name: [(1R,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] butanoate Openeye Name: [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] butanoate CAS Name: butanoic acid [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5R)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] butanoate Traditional Name: butyric acid [(1R,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] ester Formula: C13H18O3 MolecularWeight: 222.28022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(C(=C(C1)C#C)C)O

Isomeric SMILES

CCCC(=O)O[C@H]1C[C@H](C(=C(C1)C#C)C)O

InChI

InChI=1S/C13H18O3/c1-4-6-13(15)16-11-7-10(5-2)9(3)12(14)8-11/h2,11-12,14H,4,6-8H2,1,3H3/t11-,12-/m1/s1