ethyl (3aR,7S,7aS)-2,2-diethyl-7-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: ethyl (3aR,7S,7aS)-2,2-diethyl-7-oxidanyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: ethyl (3aR,7S,7aS)-2,2-diethyl-7-hydroxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,7S,7aS)-2,2-diethyl-7-hydroxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7S,7aS)-2,2-diethyl-7-hydroxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,7S,7aS)-2,2-diethyl-7-hydroxy-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester Formula: C14H22O5 MolecularWeight: 270.32148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OC2C=C(CC(C2O1)O)C(=O)OCC)CC

Isomeric SMILES

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

InChI

InChI=1S/C14H22O5/c1-4-14(5-2)18-11-8-9(13(16)17-6-3)7-10(15)12(11)19-14/h8,10-12,15H,4-7H2,1-3H3/t10-,11+,12-/m0/s1