dimethyl (3aS,7aR)-7a-methyl-3-oxidanylidene-4,5-diphenyl-1H-2-benzofuran-3a,6-dicarboxylate

Systemtic Name: dimethyl (3aS,7aR)-7a-methyl-3-oxidanylidene-4,5-diphenyl-1H-2-benzofuran-3a,6-dicarboxylate Openeye Name: dimethyl (3aS,7aR)-7a-methyl-3-oxo-4,5-diphenyl-1H-isobenzofuran-3a,6-dicarboxylate CAS Name: (3aS,7aR)-7a-methyl-3-oxo-4,5-diphenyl-1H-isobenzofuran-3a,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3aS,7aR)-7a-methyl-3-oxo-4,5-diphenyl-1H-2-benzofuran-3a,6-dicarboxylate Traditional Name: (3aS,7aR)-3-keto-7a-methyl-4,5-diphenyl-1H-isobenzofuran-3a,6-dicarboxylic acid dimethyl ester Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

CC12COC(=O)C1(C(=C(C(=C2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

C[C@]12COC(=O)[C@]1(C(=C(C(=C2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H22O6/c1-24-14-18(21(26)29-2)19(16-10-6-4-7-11-16)20(17-12-8-5-9-13-17)25(24,22(27)30-3)23(28)31-15-24/h4-14H,15H2,1-3H3/t24-,25-/m0/s1