dimethyl (3R,3aS,4R)-6-methyl-5-oxidanylidene-3,4-diphenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate

Systemtic Name: dimethyl (3R,3aS,4R)-6-methyl-5-oxidanylidene-3,4-diphenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Openeye Name: dimethyl (3R,3aS,4R)-6-methyl-5-oxo-3,4-diphenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate CAS Name: (3R,3aS,4R)-6-methyl-5-oxo-3,4-diphenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,3aS,4R)-6-methyl-5-oxo-3,4-diphenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate Traditional Name: (3R,3aS,4R)-5-keto-6-methyl-3,4-diphenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid dimethyl ester Formula: C25H24O5 MolecularWeight: 404.45506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CC(C(C2C(C1=O)C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C2CC([C@H]([C@H]2[C@@H](C1=O)C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H24O5/c1-15-18-14-25(23(27)29-2,24(28)30-3)21(17-12-8-5-9-13-17)20(18)19(22(15)26)16-10-6-4-7-11-16/h4-13,19-21H,14H2,1-3H3/t19-,20+,21-/m0/s1