O1-[3,5-bis(oxidanyl)-1-adamantyl] O4-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) 2,3-dimethylbutanedioate

Systemtic Name: O1-[3,5-bis(oxidanyl)-1-adamantyl] O4-(3-butoxycarbonyl-5-oxidanyl-1-adamantyl) 2,3-dimethylbutanedioate Openeye Name: O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) O4-(3,5-dihydroxy-1-adamantyl) 2,3-dimethylbutanedioate CAS Name: 2,3-dimethylbutanedioic acid O1-[3-[butoxy(oxo)methyl]-5-hydroxy-1-adamantyl] ester O4-(3,5-dihydroxy-1-adamantyl) ester IUPAC Name: 1-O-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) 4-O-(3,5-dihydroxy-1-adamantyl) 2,3-dimethylbutanedioate Traditional Name: 2,3-dimethylsuccinic acid O1-(3-butoxycarbonyl-5-hydroxy-1-adamantyl) ester O4-(3,5-dihydroxy-1-adamantyl) ester Formula: C31H46O9 MolecularWeight: 562.69154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H46O9/c1-4-5-6-38-25(34)26-7-21-8-27(35,13-26)16-30(11-21,14-26)39-23(32)19(2)20(3)24(33)40-31-12-22-9-28(36,17-31)15-29(37,10-22)18-31/h19-22,35-37H,4-18H2,1-3H3