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

Systemtic Name: O1-(3-oxidanyl-1-adamantyl) O5-[2-(3-oxidanyl-1-adamantyl)propan-2-yl] 4-ethyl-2-methyl-pentanedioate Openeye Name: O5-(3-hydroxy-1-adamantyl) O1-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethyl] 2-ethyl-4-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(3-hydroxy-1-adamantyl) ester O5-[2-(3-hydroxy-1-adamantyl)propan-2-yl] ester IUPAC Name: 1-O-(3-hydroxy-1-adamantyl) 5-O-[2-(3-hydroxy-1-adamantyl)propan-2-yl] 4-ethyl-2-methylpentanedioate Traditional Name: 2-ethyl-4-methyl-glutaric acid O5-(3-hydroxy-1-adamantyl) ester O1-[1-(3-hydroxy-1-adamantyl)-1-methyl-ethyl] ester Formula: C31H48O6 MolecularWeight: 516.70922

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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)(C)C45CC6CC(C4)CC(C6)(C5)O

Isomeric SMILES

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

InChI

InChI=1S/C31H48O6/c1-5-24(6-19(2)25(32)37-31-15-22-8-23(16-31)14-30(35,13-22)18-31)26(33)36-27(3,4)28-9-20-7-21(10-28)12-29(34,11-20)17-28/h19-24,34-35H,5-18H2,1-4H3