dimethyl (3aR,4R,5R,7aS)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4,5-dicarboxylate

Systemtic Name: dimethyl (3aR,4R,5R,7aS)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4,5-dicarboxylate Openeye Name: dimethyl (3aR,4R,5R,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4,5-dicarboxylate CAS Name: (3aR,4R,5R,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aR,4R,5R,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4,5-dicarboxylate Traditional Name: (3aR,4R,5R,7aS)-3-keto-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4,5-dicarboxylic acid dimethyl ester Formula: C12H14O6 MolecularWeight: 254.23596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=CC2COC(=O)C2C1C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C12H14O6/c1-16-10(13)7-4-3-6-5-18-12(15)8(6)9(7)11(14)17-2/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-,9-/m1/s1