bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3aS,5R)-2-methyl-2-phenyl-1,5-dihydroacenaphthylene-3a,5-dicarboxylate

Systemtic Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3aS,5R)-2-methyl-2-phenyl-1,5-dihydroacenaphthylene-3a,5-dicarboxylate Openeye Name: bis[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2R,3aS,5R)-2-methyl-2-phenyl-1,5-dihydroacenaphthylene-3a,5-dicarboxylate CAS Name: (2R,3aS,5R)-2-methyl-2-phenyl-1,5-dihydroacenaphthylene-3a,5-dicarboxylic acid bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: bis[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R,3aS,5R)-2-methyl-2-phenyl-1,5-dihydroacenaphthylene-3a,5-dicarboxylate Traditional Name: (2R,3aS,5R)-2-methyl-2-phenyl-1,5-dihydroacenaphthylene-3a,5-dicarboxylic acid bis[(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C53H62O4 MolecularWeight: 763.05698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2C=CC3(C4=C(CC3(C)C5=CC=CC=C5)C=CC=C24)C(=O)OC6CC(CCC6C(C)(C)C7=CC=CC=C7)C)C(C)(C)C8=CC=CC=C8

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2C=C[C@]3(C4=C(C[C@]3(C)C5=CC=CC=C5)C=CC=C24)C(=O)O[C@@H]6C[C@@H](CC[C@H]6C(C)(C)C7=CC=CC=C7)C)C(C)(C)C8=CC=CC=C8

InChI

InChI=1S/C53H62O4/c1-35-26-28-43(50(3,4)38-19-11-8-12-20-38)45(32-35)56-48(54)42-30-31-53(47-37(18-17-25-41(42)47)34-52(53,7)40-23-15-10-16-24-40)49(55)57-46-33-36(2)27-29-44(46)51(5,6)39-21-13-9-14-22-39/h8-25,30-31,35-36,42-46H,26-29,32-34H2,1-7H3/t35-,36-,42-,43-,44-,45-,46-,52-,53+/m1/s1