[(1S,2R,3R)-2,3-bis(oxidanyl)-2-prop-2-ynyl-cyclohexyl] ethanoate

Systemtic Name: [(1S,2R,3R)-2,3-bis(oxidanyl)-2-prop-2-ynyl-cyclohexyl] ethanoate Openeye Name: [(1S,2R,3R)-2,3-dihydroxy-2-prop-2-ynyl-cyclohexyl] acetate CAS Name: acetic acid [(1S,2R,3R)-2,3-dihydroxy-2-prop-2-ynylcyclohexyl] ester IUPAC Name: [(1S,2R,3R)-2,3-dihydroxy-2-prop-2-ynylcyclohexyl] acetate Traditional Name: acetic acid [(1S,2R,3R)-2,3-dihydroxy-2-propargyl-cyclohexyl] ester Formula: C11H16O4 MolecularWeight: 212.24234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCC(C1(CC#C)O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H16O4/c1-3-7-11(14)9(13)5-4-6-10(11)15-8(2)12/h1,9-10,13-14H,4-7H2,2H3/t9-,10+,11-/m1/s1