O1-[3,5-bis(oxidanyl)-1-adamantyl] O5-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) 2,4-dimethylpentanedioate

Systemtic Name: O1-[3,5-bis(oxidanyl)-1-adamantyl] O5-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) 2,4-dimethylpentanedioate Openeye Name: O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) O5-(3,5-dihydroxy-1-adamantyl) 2,4-dimethylpentanedioate CAS Name: 2,4-dimethylpentanedioic acid O1-[3-[butoxy(oxo)methyl]-5-hydroxy-1-adamantyl] ester O5-(3,5-dihydroxy-1-adamantyl) ester IUPAC Name: 1-O-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) 5-O-(3,5-dihydroxy-1-adamantyl) 2,4-dimethylpentanedioate Traditional Name: 2,4-dimethylglutaric acid O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) ester O5-(3,5-dihydroxy-1-adamantyl) ester Formula: C32H48O9 MolecularWeight: 576.71812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H48O9/c1-4-5-6-39-26(35)27-8-22-9-28(36,14-27)17-31(12-22,15-27)40-24(33)20(2)7-21(3)25(34)41-32-13-23-10-29(37,18-32)16-30(38,11-23)19-32/h20-23,36-38H,4-19H2,1-3H3