methyl (3aR,7S,7aS)-2,2-dimethyl-7-oxidanyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aR,7S,7aS)-2,2-dimethyl-7-oxidanyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aR,7S,7aS)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,7S,7aS)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7S,7aS)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,7S,7aS)-7-hydroxy-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C11H16O5 MolecularWeight: 228.24174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC(=CC(C2O1)O)C(=O)OC)C

Isomeric SMILES

CC1(O[C@@H]2CC(=C[C@@H]([C@@H]2O1)O)C(=O)OC)C

InChI

InChI=1S/C11H16O5/c1-11(2)15-8-5-6(10(13)14-3)4-7(12)9(8)16-11/h4,7-9,12H,5H2,1-3H3/t7-,8+,9-/m0/s1