dimethyl (3aR,6S,7aR)-3-oxidanylidene-4,5-diphenyl-1,6,7,7a-tetrahydro-2-benzofuran-3a,6-dicarboxylate

Systemtic Name: dimethyl (3aR,6S,7aR)-3-oxidanylidene-4,5-diphenyl-1,6,7,7a-tetrahydro-2-benzofuran-3a,6-dicarboxylate Openeye Name: dimethyl (3aR,6S,7aR)-3-oxo-4,5-diphenyl-1,6,7,7a-tetrahydroisobenzofuran-3a,6-dicarboxylate CAS Name: (3aR,6S,7aR)-3-oxo-4,5-diphenyl-1,6,7,7a-tetrahydroisobenzofuran-3a,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aR,6S,7aR)-3-oxo-4,5-diphenyl-1,6,7,7a-tetrahydro-2-benzofuran-3a,6-dicarboxylate Traditional Name: (3aR,6S,7aR)-3-keto-4,5-diphenyl-1,6,7,7a-tetrahydroisobenzofuran-3a,6-dicarboxylic acid dimethyl ester Formula: C24H22O6 MolecularWeight: 406.42788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2COC(=O)C2(C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1C[C@H]2COC(=O)[C@]2(C(=C1C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H22O6/c1-28-21(25)18-13-17-14-30-23(27)24(17,22(26)29-2)20(16-11-7-4-8-12-16)19(18)15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18-,24+/m0/s1