(1R,2S)-2-ethynyl-1,3-dimethyl-2-oxidanyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,2S)-2-ethynyl-1,3-dimethyl-2-oxidanyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,2S)-2-ethynyl-2-hydroxy-1,3-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C11H14O3 MolecularWeight: 194.22706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O3/c1-4-11(14)8(2)6-5-7-10(11,3)9(12)13/h1,6,14H,5,7H2,2-3H3,(H,12,13)/t10-,11-/m0/s1