diethyl (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydro-2-benzofuran-5,6-dicarboxylate

Systemtic Name: diethyl (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydro-2-benzofuran-5,6-dicarboxylate Openeye Name: diethyl (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydroisobenzofuran-5,6-dicarboxylate CAS Name: (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydroisobenzofuran-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydro-2-benzofuran-5,6-dicarboxylate Traditional Name: (5S,6S)-4,7-dimethyl-1,3,5,6-tetrahydroisobenzofuran-5,6-dicarboxylic acid diethyl ester Formula: C16H22O5 MolecularWeight: 294.34288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C2COCC2=C1C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=C2COCC2=C1C)C)C(=O)OCC

InChI

InChI=1S/C16H22O5/c1-5-20-15(17)13-9(3)11-7-19-8-12(11)10(4)14(13)16(18)21-6-2/h13-14H,5-8H2,1-4H3/t13-,14-/m1/s1