[(1R,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-cyclohex-2-en-1-yl] ethanoate

Systemtic Name: [(1R,5S,6R)-6-(hydroxymethyl)-5-oxidanyl-cyclohex-2-en-1-yl] ethanoate Openeye Name: [(1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-yl] acetate CAS Name: acetic acid [(1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5S,6R)-5-hydroxy-6-(hydroxymethyl)cyclohex-2-en-1-yl] acetate Traditional Name: acetic acid [(1R,5S,6R)-5-hydroxy-6-methylol-cyclohex-2-en-1-yl] ester Formula: C9H14O4 MolecularWeight: 186.20506

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CCC(C1CO)O

Isomeric SMILES

CC(=O)O[C@@H]1C=CC[C@@H]([C@H]1CO)O

InChI

InChI=1S/C9H14O4/c1-6(11)13-9-4-2-3-8(12)7(9)5-10/h2,4,7-10,12H,3,5H2,1H3/t7-,8+,9-/m1/s1