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

Systemtic Name: [(1S,5R)-3-ethynyl-4-methyl-5-oxidanyl-cyclohex-3-en-1-yl] propanoate Openeye Name: [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] propanoate CAS Name: propanoic acid [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,5R)-3-ethynyl-5-hydroxy-4-methylcyclohex-3-en-1-yl] propanoate Traditional Name: propionic acid [(1S,5R)-3-ethynyl-5-hydroxy-4-methyl-cyclohex-3-en-1-yl] ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O3/c1-4-9-6-10(15-12(14)5-2)7-11(13)8(9)3/h1,10-11,13H,5-7H2,2-3H3/t10-,11+/m0/s1