[(1S,2S,6R)-5,6-diacetyloxy-2-(2-hydroxyethyloxy)-1-oxidanyl-cyclohex-3-en-1-yl]methyl benzoate

Systemtic Name: [(1S,2S,6R)-5,6-diacetyloxy-2-(2-hydroxyethyloxy)-1-oxidanyl-cyclohex-3-en-1-yl]methyl benzoate Openeye Name: [(1S,2S,6R)-5,6-diacetoxy-1-hydroxy-2-(2-hydroxyethoxy)cyclohex-3-en-1-yl]methyl benzoate CAS Name: benzoic acid [(1S,2S,6R)-5,6-diacetyloxy-1-hydroxy-2-(2-hydroxyethoxy)-1-cyclohex-3-enyl]methyl ester IUPAC Name: [(1S,2S,6R)-5,6-diacetyloxy-1-hydroxy-2-(2-hydroxyethoxy)cyclohex-3-en-1-yl]methyl benzoate Traditional Name: benzoic acid [(1S,2S,6R)-5,6-diacetoxy-1-hydroxy-2-(2-hydroxyethoxy)cyclohex-3-en-1-yl]methyl ester Formula: C20H24O9 MolecularWeight: 408.39916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CC(C(C1OC(=O)C)(COC(=O)C2=CC=CC=C2)O)OCCO

Isomeric SMILES

CC(=O)O[C@@H]1C(C=C[C@@H]([C@]1(COC(=O)C2=CC=CC=C2)O)OCCO)OC(=O)C

InChI

InChI=1S/C20H24O9/c1-13(22)28-16-8-9-17(26-11-10-21)20(25,18(16)29-14(2)23)12-27-19(24)15-6-4-3-5-7-15/h3-9,16-18,21,25H,10-12H2,1-2H3/t16?,17-,18+,20-/m0/s1