methyl (3aR,7aR)-2,2-diethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl (3aR,7aR)-2,2-diethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylate Openeye Name: methyl (3aR,7aR)-2,2-diethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,7aR)-2,2-diethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-2,2-diethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,7aR)-2,2-diethyl-7-keto-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O5/c1-4-13(5-2)17-10-7-8(12(15)16-3)6-9(14)11(10)18-13/h6,10-11H,4-5,7H2,1-3H3/t10-,11+/m1/s1