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

Systemtic Name: O1-[3,5-bis(oxidanyl)-1-adamantyl] O5-[2-(4-methylcyclohexyl)propan-2-yl] 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-(3,5-dihydroxy-1-adamantyl) O5-[1-methyl-1-(4-methylcyclohexyl)ethyl] 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(3,5-dihydroxy-1-adamantyl) ester O5-[2-(4-methylcyclohexyl)propan-2-yl] ester IUPAC Name: 1-O-(3,5-dihydroxy-1-adamantyl) 5-O-[2-(4-methylcyclohexyl)propan-2-yl] 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-(3,5-dihydroxy-1-adamantyl) ester O5-[1-methyl-1-(4-methylcyclohexyl)ethyl] ester Formula: C28H46O6 MolecularWeight: 478.66124

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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)C4CCC(CC4)C

Isomeric SMILES

CCC(CC(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC(C)(C)C4CCC(CC4)C

InChI

InChI=1S/C28H46O6/c1-6-21(24(30)33-25(4,5)22-9-7-18(2)8-10-22)11-19(3)23(29)34-28-14-20-12-26(31,16-28)15-27(32,13-20)17-28/h18-22,31-32H,6-17H2,1-5H3