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

Systemtic Name: O1-[3,5-bis(oxidanyl)-1-adamantyl] O5-(2-methyl-2-adamantyl) 4-ethyl-2-methyl-pentanedioate Openeye Name: O1-(3,5-dihydroxy-1-adamantyl) O5-(2-methyl-2-adamantyl) 4-ethyl-2-methyl-pentanedioate CAS Name: 4-ethyl-2-methylpentanedioic acid O1-(3,5-dihydroxy-1-adamantyl) ester O5-(2-methyl-2-adamantyl) ester IUPAC Name: 1-O-(3,5-dihydroxy-1-adamantyl) 5-O-(2-methyl-2-adamantyl) 4-ethyl-2-methylpentanedioate Traditional Name: 4-ethyl-2-methyl-glutaric acid O1-(3,5-dihydroxy-1-adamantyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C29H44O6 MolecularWeight: 488.65606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC4(C5CC6CC(C5)CC4C6)C

Isomeric SMILES

CCC(CC(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)O)O)C(=O)OC4(C5CC6CC(C5)CC4C6)C

InChI

InChI=1S/C29H44O6/c1-4-21(25(31)34-26(3)22-7-18-6-19(9-22)10-23(26)8-18)5-17(2)24(30)35-29-13-20-11-27(32,15-29)14-28(33,12-20)16-29/h17-23,32-33H,4-16H2,1-3H3