[2,3,4,5,6-pentakis(1-adamantylcarbonyloxymethyl)phenyl]methyl adamantane-1-carboxylate

Systemtic Name: [2,3,4,5,6-pentakis(1-adamantylcarbonyloxymethyl)phenyl]methyl adamantane-1-carboxylate Openeye Name: [2,3,4,5,6-pentakis(adamantane-1-carbonyloxymethyl)phenyl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2,3,4,5,6-pentakis[[1-adamantyl(oxo)methoxy]methyl]phenyl]methyl ester IUPAC Name: [2,3,4,5,6-pentakis(adamantane-1-carbonyloxymethyl)phenyl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2,3,4,5,6-pentakis(adamantane-1-carbonyloxymethyl)benzyl] ester Formula: C78H102O12 MolecularWeight: 1231.63728

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=C(C(=C(C(=C4COC(=O)C56CC7CC(C5)CC(C7)C6)COC(=O)C89CC1CC(C8)CC(C1)C9)COC(=O)C12CC3CC(C1)CC(C3)C2)COC(=O)C12CC3CC(C1)CC(C3)C2)COC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC4=C(C(=C(C(=C4COC(=O)C56CC7CC(C5)CC(C7)C6)COC(=O)C89CC1CC(C8)CC(C1)C9)COC(=O)C12CC3CC(C1)CC(C3)C2)COC(=O)C12CC3CC(C1)CC(C3)C2)COC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C78H102O12/c79-67(73-19-43-1-44(20-73)3-45(2-43)21-73)85-37-61-62(38-86-68(80)74-22-46-4-47(23-74)6-48(5-46)24-74)64(40-88-70(82)76-28-52-10-53(29-76)12-54(11-52)30-76)66(42-90-72(84)78-34-58-16-59(35-78)18-60(17-58)36-78)65(41-89-71(83)77-31-55-13-56(32-77)15-57(14-55)33-77)63(61)39-87-69(81)75-25-49-7-50(26-75)9-51(8-49)27-75/h43-60H,1-42H2