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

Systemtic Name: O1-[2-(1-adamantyl)butan-2-yl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-[1-(1-adamantyl)-1-methyl-propyl] O5-(3-hydroxy-1-adamantyl) 2-ethyl-4-methyl-pentanedioate CAS Name: 2-ethyl-4-methylpentanedioic acid O1-[2-(1-adamantyl)butan-2-yl] ester O5-(3-hydroxy-1-adamantyl) ester IUPAC Name: 1-O-[2-(1-adamantyl)butan-2-yl] 5-O-(3-hydroxy-1-adamantyl) 2-ethyl-4-methylpentanedioate Traditional Name: 2-ethyl-4-methyl-glutaric acid O1-[1-(1-adamantyl)-1-methyl-propyl] ester O5-(3-hydroxy-1-adamantyl) ester Formula: C32H50O5 MolecularWeight: 514.7364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50O5/c1-5-26(7-20(3)27(33)37-32-17-24-11-25(18-32)16-31(35,15-24)19-32)28(34)36-29(4,6-2)30-12-21-8-22(13-30)10-23(9-21)14-30/h20-26,35H,5-19H2,1-4H3