[3-(1-adamantylcarbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate

Systemtic Name: [3-(1-adamantylcarbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate Openeye Name: [3-(adamantane-1-carbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-[[1-adamantyl(oxo)methoxy]methyl]-5,7-dimethyl-1-adamantyl]methyl ester IUPAC Name: [3-(adamantane-1-carbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-(adamantane-1-carbonyloxymethyl)-5,7-dimethyl-1-adamantyl]methyl ester Formula: C36H52O4 MolecularWeight: 548.79568

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)COC(=O)C45CC6CC(C4)CC(C6)C5)COC(=O)C78CC9CC(C7)CC(C9)C8)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)COC(=O)C45CC6CC(C4)CC(C6)C5)COC(=O)C78CC9CC(C7)CC(C9)C8)C

InChI

InChI=1S/C36H52O4/c1-31-15-32(2)18-33(16-31,21-39-29(37)35-9-23-3-24(10-35)5-25(4-23)11-35)20-34(17-31,19-32)22-40-30(38)36-12-26-6-27(13-36)8-28(7-26)14-36/h23-28H,3-22H2,1-2H3