methyl (3aS,7S,7aR)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aS,7S,7aR)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aS,7S,7aR)-7-acetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aS,7S,7aR)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aS,7S,7aR)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aS,7S,7aR)-7-acetoxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C13H18O6 MolecularWeight: 270.27842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(=CC2C1OC(O2)(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H18O6/c1-7(14)17-9-5-8(12(15)16-4)6-10-11(9)19-13(2,3)18-10/h6,9-11H,5H2,1-4H3/t9-,10-,11+/m0/s1