dimethyl (5S,6S)-1-ethanoyl-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate

Systemtic Name: dimethyl (5S,6S)-1-ethanoyl-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate Openeye Name: dimethyl (5S,6S)-1-acetyl-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylate CAS Name: (5S,6S)-1-acetyl-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (5S,6S)-1-acetyl-4,5,6,7-tetrahydro-2-benzofuran-5,6-dicarboxylate Traditional Name: (5S,6S)-1-acetyl-4,5,6,7-tetrahydroisobenzofuran-5,6-dicarboxylic acid dimethyl ester Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2CC(C(CC2=CO1)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)C1=C2C[C@@H]([C@H](CC2=CO1)C(=O)OC)C(=O)OC

InChI

InChI=1S/C14H16O6/c1-7(15)12-9-5-11(14(17)19-3)10(13(16)18-2)4-8(9)6-20-12/h6,10-11H,4-5H2,1-3H3/t10-,11-/m0/s1