O1-[3-(1-adamantyl)pentan-3-yl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate

Systemtic Name: O1-[3-(1-adamantyl)pentan-3-yl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-[1-(1-adamantyl)-1-ethyl-propyl] O5-(3-hydroxy-1-adamantyl) 2-ethyl-4-methyl-pentanedioate CAS Name: 2-ethyl-4-methylpentanedioic acid O1-[3-(1-adamantyl)pentan-3-yl] ester O5-(3-hydroxy-1-adamantyl) ester IUPAC Name: 1-O-[3-(1-adamantyl)pentan-3-yl] 5-O-(3-hydroxy-1-adamantyl) 2-ethyl-4-methylpentanedioate Traditional Name: 2-ethyl-4-methyl-glutaric acid O1-[1-(1-adamantyl)-1-ethyl-propyl] ester O5-(3-hydroxy-1-adamantyl) ester Formula: C33H52O5 MolecularWeight: 528.76298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52O5/c1-5-27(8-21(4)28(34)37-32-18-25-12-26(19-32)17-31(36,16-25)20-32)29(35)38-33(6-2,7-3)30-13-22-9-23(14-30)11-24(10-22)15-30/h21-27,36H,5-20H2,1-4H3