dimethyl (4aS,6S,8aR)-4a-methyl-1-oxidanylidene-7,8-diphenyl-3,4,5,6-tetrahydroisochromene-6,8a-dicarboxylate

Systemtic Name: dimethyl (4aS,6S,8aR)-4a-methyl-1-oxidanylidene-7,8-diphenyl-3,4,5,6-tetrahydroisochromene-6,8a-dicarboxylate Openeye Name: dimethyl (4aS,6S,8aR)-4a-methyl-1-oxo-7,8-diphenyl-3,4,5,6-tetrahydroisochromene-6,8a-dicarboxylate CAS Name: (4aS,6S,8aR)-4a-methyl-1-oxo-7,8-diphenyl-3,4,5,6-tetrahydro-2-benzopyran-6,8a-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4aS,6S,8aR)-4a-methyl-1-oxo-7,8-diphenyl-3,4,5,6-tetrahydroisochromene-6,8a-dicarboxylate Traditional Name: (4aS,6S,8aR)-1-keto-4a-methyl-7,8-diphenyl-3,4,5,6-tetrahydroisochromene-6,8a-dicarboxylic acid dimethyl ester Formula: C26H26O6 MolecularWeight: 434.48104

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCOC(=O)C1(C(=C(C(C2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H26O6/c1-25-14-15-32-24(29)26(25,23(28)31-3)21(18-12-8-5-9-13-18)20(17-10-6-4-7-11-17)19(16-25)22(27)30-2/h4-13,19H,14-16H2,1-3H3/t19-,25+,26-/m0/s1