methyl (1R,2S)-2-ethynyl-1,3-dimethyl-2-oxidanyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-ethynyl-1,3-dimethyl-2-oxidanyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1(C#C)O)(C)C(=O)OC

Isomeric SMILES

CC1=CCC[C@@]([C@@]1(C#C)O)(C)C(=O)OC

InChI

InChI=1S/C12H16O3/c1-5-12(14)9(2)7-6-8-11(12,3)10(13)15-4/h1,7,14H,6,8H2,2-4H3/t11-,12-/m0/s1