[(1R,5R)-3-ethynyl-2-methyl-5-oxidanyl-cyclohex-2-en-1-yl] butanoate

Systemtic Name: [(1R,5R)-3-ethynyl-2-methyl-5-oxidanyl-cyclohex-2-en-1-yl] butanoate Openeye Name: [(1R,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl] butanoate CAS Name: butanoic acid [(1R,5R)-3-ethynyl-5-hydroxy-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5R)-3-ethynyl-5-hydroxy-2-methylcyclohex-2-en-1-yl] butanoate Traditional Name: butyric acid [(1R,5R)-3-ethynyl-5-hydroxy-2-methyl-cyclohex-2-en-1-yl] ester Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC(CC(=C1C)C#C)O

Isomeric SMILES

CCCC(=O)O[C@@H]1C[C@@H](CC(=C1C)C#C)O

InChI

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