O1-[(3-methoxycarbonyloxy-5-oxidanyl-1-adamantyl)carbonyl] O3-[2-(2-methoxypropan-2-yl)-5-methyl-cyclohexyl] 5-oxidanyladamantane-1,3-dicarboxylate

Systemtic Name: O1-[(3-methoxycarbonyloxy-5-oxidanyl-1-adamantyl)carbonyl] O3-[2-(2-methoxypropan-2-yl)-5-methyl-cyclohexyl] 5-oxidanyladamantane-1,3-dicarboxylate Openeye Name: O1-(3-hydroxy-5-methoxycarbonyloxy-adamantane-1-carbonyl) O3-[2-(1-methoxy-1-methyl-ethyl)-5-methyl-cyclohexyl] 5-hydroxyadamantane-1,3-dicarboxylate CAS Name: 5-hydroxyadamantane-1,3-dicarboxylic acid O1-[(3-hydroxy-5-methoxycarbonyloxy-1-adamantyl)-oxomethyl] ester O3-[2-(2-methoxypropan-2-yl)-5-methylcyclohexyl] ester IUPAC Name: 1-O-(3-hydroxy-5-methoxycarbonyloxyadamantane-1-carbonyl) 3-O-[2-(2-methoxypropan-2-yl)-5-methylcyclohexyl] 5-hydroxyadamantane-1,3-dicarboxylate Traditional Name: 5-hydroxyadamantane-1,3-dicarboxylic acid O1-(3-carbomethoxyoxy-5-hydroxy-adamantane-1-carbonyl) ester O3-[2-(1-methoxy-1-methyl-ethyl)-5-methyl-cyclohexyl] ester Formula: C36H52O11 MolecularWeight: 660.79148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C23CC4CC(C2)(CC(C4)(C3)O)C(=O)OC(=O)C56CC7CC(C5)(CC(C7)(C6)OC(=O)OC)O)C(C)(C)OC

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C23CC4CC(C2)(CC(C4)(C3)O)C(=O)OC(=O)C56CC7CC(C5)(CC(C7)(C6)OC(=O)OC)O)C(C)(C)OC

InChI

InChI=1S/C36H52O11/c1-21-6-7-24(30(2,3)44-5)25(8-21)45-26(37)31-9-22-10-32(15-31,17-34(41,12-22)16-31)27(38)46-28(39)33-11-23-13-35(42,18-33)20-36(14-23,19-33)47-29(40)43-4/h21-25,41-42H,6-20H2,1-5H3