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

Systemtic Name: methyl (3aR,7aR)-2,2-dimethyl-4-oxidanylidene-5,6,7,7a-tetrahydro-1,3-benzodioxole-3a-carboxylate Openeye Name: methyl (3aR,7aR)-2,2-dimethyl-4-oxo-5,6,7,7a-tetrahydro-1,3-benzodioxole-3a-carboxylate CAS Name: (3aR,7aR)-2,2-dimethyl-4-oxo-5,6,7,7a-tetrahydro-1,3-benzodioxole-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aR,7aR)-2,2-dimethyl-4-oxo-5,6,7,7a-tetrahydro-1,3-benzodioxole-3a-carboxylate Traditional Name: (3aR,7aR)-4-keto-2,2-dimethyl-5,6,7,7a-tetrahydro-1,3-benzodioxole-3a-carboxylic acid methyl ester Formula: C11H16O5 MolecularWeight: 228.24174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2CCCC(=O)C2(O1)C(=O)OC)C

Isomeric SMILES

CC1(O[C@@H]2CCCC(=O)[C@@]2(O1)C(=O)OC)C

InChI

InChI=1S/C11H16O5/c1-10(2)15-8-6-4-5-7(12)11(8,16-10)9(13)14-3/h8H,4-6H2,1-3H3/t8-,11+/m1/s1