methyl (3aR,5S,7aR)-2,2-diethyl-5-oxidanyl-7-oxidanylidene-3a,4,6,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aR,5S,7aR)-2,2-diethyl-5-oxidanyl-7-oxidanylidene-3a,4,6,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aR,5S,7aR)-2,2-diethyl-5-hydroxy-7-oxo-3a,4,6,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,5S,7aR)-2,2-diethyl-5-hydroxy-7-oxo-3a,4,6,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,5S,7aR)-2,2-diethyl-5-hydroxy-7-oxo-3a,4,6,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,5S,7aR)-2,2-diethyl-5-hydroxy-7-keto-3a,4,6,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C13H20O6 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OC2CC(CC(=O)C2O1)(C(=O)OC)O)CC

Isomeric SMILES

CCC1(O[C@@H]2C[C@](CC(=O)[C@@H]2O1)(C(=O)OC)O)CC

InChI

InChI=1S/C13H20O6/c1-4-13(5-2)18-9-7-12(16,11(15)17-3)6-8(14)10(9)19-13/h9-10,16H,4-7H2,1-3H3/t9-,10+,12-/m1/s1