methyl (1R,3aS,7aR)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-1-carboxylate

Systemtic Name: methyl (1R,3aS,7aR)-3-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-1-carboxylate Openeye Name: methyl (1R,3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isobenzofuran-1-carboxylate CAS Name: (1R,3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-isobenzofuran-1-carboxylic acid methyl ester IUPAC Name: methyl (1R,3aS,7aR)-3-oxo-3a,4,5,6,7,7a-hexahydro-1H-2-benzofuran-1-carboxylate Traditional Name: (1R,3aS,7aR)-3-keto-3a,4,5,6,7,7a-hexahydro-1H-isobenzofuran-1-carboxylic acid methyl ester Formula: C10H14O4 MolecularWeight: 198.21576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCCCC2C(=O)O1

Isomeric SMILES

COC(=O)[C@H]1[C@@H]2CCCC[C@@H]2C(=O)O1

InChI

InChI=1S/C10H14O4/c1-13-10(12)8-6-4-2-3-5-7(6)9(11)14-8/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1