[3-[[2-(hydroxymethyl)-2-adamantyl]oxycarbonyl]-1-adamantyl] 2-(hydroxymethyl)adamantane-2-carboxylate

Systemtic Name: [3-[[2-(hydroxymethyl)-2-adamantyl]oxycarbonyl]-1-adamantyl] 2-(hydroxymethyl)adamantane-2-carboxylate Openeye Name: [3-[[2-(hydroxymethyl)-2-adamantyl]oxycarbonyl]-1-adamantyl] 2-(hydroxymethyl)adamantane-2-carboxylate CAS Name: 2-(hydroxymethyl)-2-adamantanecarboxylic acid [3-[[2-(hydroxymethyl)-2-adamantyl]oxy-oxomethyl]-1-adamantyl] ester IUPAC Name: [3-[[2-(hydroxymethyl)-2-adamantyl]oxycarbonyl]-1-adamantyl] 2-(hydroxymethyl)adamantane-2-carboxylate Traditional Name: 2-methyloladamantane-2-carboxylic acid [3-[(2-methylol-2-adamantyl)oxycarbonyl]-1-adamantyl] ester Formula: C34H48O6 MolecularWeight: 552.74132

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CO)C(=O)OC45CC6CC(C4)CC(C6)(C5)C(=O)OC7(C8CC9CC(C8)CC7C9)CO

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CO)C(=O)OC45CC6CC(C4)CC(C6)(C5)C(=O)OC7(C8CC9CC(C8)CC7C9)CO

InChI

InChI=1S/C34H48O6/c35-17-33(25-4-19-1-20(6-25)7-26(33)5-19)30(38)39-32-14-23-3-24(15-32)13-31(12-23,16-32)29(37)40-34(18-36)27-8-21-2-22(10-27)11-28(34)9-21/h19-28,35-36H,1-18H2