[(3aS,5R,6S,7S,7aR)-2,2-dimethyl-6,7-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]methyl ethanoate

Systemtic Name: [(3aS,5R,6S,7S,7aR)-2,2-dimethyl-6,7-bis(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]methyl ethanoate Openeye Name: [(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]methyl acetate CAS Name: acetic acid [(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]methyl ester IUPAC Name: [(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]methyl acetate Traditional Name: acetic acid [(3aS,5R,6S,7S,7aR)-6,7-dihydroxy-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]methyl ester Formula: C12H20O6 MolecularWeight: 260.2836

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC2C(C(C1O)O)OC(O2)(C)C

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H]2[C@@H]([C@H]([C@H]1O)O)OC(O2)(C)C

InChI

InChI=1S/C12H20O6/c1-6(13)16-5-7-4-8-11(10(15)9(7)14)18-12(2,3)17-8/h7-11,14-15H,4-5H2,1-3H3/t7-,8+,9+,10+,11+/m1/s1