O1-[3,5-bis(oxidanyl)-1-adamantyl] O5-[2-(3-oxidanyl-1-adamantyl)propan-2-yl] 4-ethyl-2-methyl-pentanedioate

Systemtic Name: O1-[3,5-bis(oxidanyl)-1-adamantyl] O5-[2-(3-oxidanyl-1-adamantyl)propan-2-yl] 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-(3,5-dihydroxy-1-adamantyl) O5-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethyl] 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(3,5-dihydroxy-1-adamantyl) ester O5-[2-(3-hydroxy-1-adamantyl)propan-2-yl] ester IUPAC Name: 1-O-(3,5-dihydroxy-1-adamantyl) 5-O-[2-(3-hydroxy-1-adamantyl)propan-2-yl] 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-(3,5-dihydroxy-1-adamantyl) ester O5-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethyl] ester Formula: C31H48O7 MolecularWeight: 532.70862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC(C)(C)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

CCC(CC(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC(C)(C)C45CC6CC(C4)CC(C6)(C5)O

InChI

InChI=1S/C31H48O7/c1-5-23(25(33)37-26(3,4)27-8-20-7-21(9-27)11-28(34,10-20)15-27)6-19(2)24(32)38-31-14-22-12-29(35,17-31)16-30(36,13-22)18-31/h19-23,34-36H,5-18H2,1-4H3