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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CC=C(C(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)15-7-5-4-6(10(13)14-3)8(12)9(7)16-11/h4,7-9,12H,5H2,1-3H3/t7-,8+,9-/m0/s1