O1-[3,5-bis(oxidanyl)-1-adamantyl] O6-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) 2,5-dimethylhexanedioate

Systemtic Name: O1-[3,5-bis(oxidanyl)-1-adamantyl] O6-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) 2,5-dimethylhexanedioate Openeye Name: O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) O6-(3,5-dihydroxy-1-adamantyl) 2,5-dimethylhexanedioate CAS Name: 2,5-dimethylhexanedioic acid O1-[3-[butoxy(oxo)methyl]-5-hydroxy-1-adamantyl] ester O6-(3,5-dihydroxy-1-adamantyl) ester IUPAC Name: 1-O-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) 6-O-(3,5-dihydroxy-1-adamantyl) 2,5-dimethylhexanedioate Traditional Name: 2,5-dimethyladipic acid O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) ester O6-(3,5-dihydroxy-1-adamantyl) ester Formula: C33H50O9 MolecularWeight: 590.7447

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C12CC3CC(C1)(CC(C3)(C2)OC(=O)C(C)CCC(C)C(=O)OC45CC6CC(C4)(CC(C6)(C5)O)O)O

Isomeric SMILES

CCCCOC(=O)C12CC3CC(C1)(CC(C3)(C2)OC(=O)C(C)CCC(C)C(=O)OC45CC6CC(C4)(CC(C6)(C5)O)O)O

InChI

InChI=1S/C33H50O9/c1-4-5-8-40-27(36)28-9-23-10-29(37,15-28)18-32(13-23,16-28)41-25(34)21(2)6-7-22(3)26(35)42-33-14-24-11-30(38,19-33)17-31(39,12-24)20-33/h21-24,37-39H,4-20H2,1-3H3