O3-[(3-methoxycarbonyloxy-5-oxidanyl-1-adamantyl)carbonyl] O1-(3-methoxy-5-oxidanyl-1-adamantyl) 5-oxidanyladamantane-1,3-dicarboxylate

Systemtic Name: O3-[(3-methoxycarbonyloxy-5-oxidanyl-1-adamantyl)carbonyl] O1-(3-methoxy-5-oxidanyl-1-adamantyl) 5-oxidanyladamantane-1,3-dicarboxylate Openeye Name: O1-(3-hydroxy-5-methoxy-1-adamantyl) O3-(3-hydroxy-5-methoxycarbonyloxy-adamantane-1-carbonyl) 5-hydroxyadamantane-1,3-dicarboxylate CAS Name: 5-hydroxyadamantane-1,3-dicarboxylic acid O1-(3-hydroxy-5-methoxy-1-adamantyl) ester O3-[(3-hydroxy-5-methoxycarbonyloxy-1-adamantyl)-oxomethyl] ester IUPAC Name: 1-O-(3-hydroxy-5-methoxy-1-adamantyl) 3-O-(3-hydroxy-5-methoxycarbonyloxyadamantane-1-carbonyl) 5-hydroxyadamantane-1,3-dicarboxylate Traditional Name: 5-hydroxyadamantane-1,3-dicarboxylic acid O3-(3-carbomethoxyoxy-5-hydroxy-adamantane-1-carbonyl) ester O1-(3-hydroxy-5-methoxy-1-adamantyl) ester Formula: C36H48O12 MolecularWeight: 672.75912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC12CC3CC(C1)(CC(C3)(C2)O)C(=O)OC(=O)C45CC6CC(C4)(CC(C6)(C5)O)C(=O)OC78CC9CC(C7)(CC(C9)(C8)OC)O

Isomeric SMILES

COC(=O)OC12CC3CC(C1)(CC(C3)(C2)O)C(=O)OC(=O)C45CC6CC(C4)(CC(C6)(C5)O)C(=O)OC78CC9CC(C7)(CC(C9)(C8)OC)O

InChI

InChI=1S/C36H48O12/c1-44-27(40)48-35-10-22-5-30(16-35,15-32(42,7-22)18-35)25(38)46-24(37)28-3-21-4-29(12-28,14-31(41,6-21)13-28)26(39)47-36-11-23-8-33(43,19-36)17-34(9-23,20-36)45-2/h21-23,41-43H,3-20H2,1-2H3