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

Systemtic Name: dimethyl (3aR,7aS)-3,3a,5,7a-tetrahydro-2H-1-benzofuran-4,4-dicarboxylate Openeye Name: dimethyl (3aR,7aS)-3,3a,5,7a-tetrahydro-2H-benzofuran-4,4-dicarboxylate CAS Name: (3aR,7aS)-3,3a,5,7a-tetrahydro-2H-benzofuran-4,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aR,7aS)-3,3a,5,7a-tetrahydro-2H-1-benzofuran-4,4-dicarboxylate Traditional Name: (3aR,7aS)-3,3a,5,7a-tetrahydro-2H-benzofuran-4,4-dicarboxylic acid dimethyl ester Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC=CC2C1CCO2)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC=C[C@H]2[C@@H]1CCO2)C(=O)OC

InChI

InChI=1S/C12H16O5/c1-15-10(13)12(11(14)16-2)6-3-4-9-8(12)5-7-17-9/h3-4,8-9H,5-7H2,1-2H3/t8-,9-/m0/s1