bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)propanedioate

Systemtic Name: bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)propanedioate Openeye Name: bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)propanedioate CAS Name: 2-(1-adamantyl)propanedioic acid bis[4-(1-adamantyl)phenyl] ester IUPAC Name: bis[4-(1-adamantyl)phenyl] 2-(1-adamantyl)propanedioate Traditional Name: 2-(1-adamantyl)malonic acid bis[4-(1-adamantyl)phenyl] ester Formula: C45H54O4 MolecularWeight: 658.90786

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C(C(=O)OC5=CC=C(C=C5)C67CC8CC(C6)CC(C8)C7)C91CC2CC(C9)CC(C2)C1

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OC(=O)C(C(=O)OC5=CC=C(C=C5)C67CC8CC(C6)CC(C8)C7)C91CC2CC(C9)CC(C2)C1

InChI

InChI=1S/C45H54O4/c46-41(48-38-5-1-36(2-6-38)43-18-27-9-28(19-43)11-29(10-27)20-43)40(45-24-33-15-34(25-45)17-35(16-33)26-45)42(47)49-39-7-3-37(4-8-39)44-21-30-12-31(22-44)14-32(13-30)23-44/h1-8,27-35,40H,9-26H2