O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(3-oxidanylidenecyclohexyl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate

Systemtic Name: O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(3-oxidanylidenecyclohexyl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate Openeye Name: O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(3-oxocyclohexyl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate CAS Name: 1,3,5-trimethylheptane-1,3,5-tricarboxylic acid O1-tert-butyl ester O5-(2-methyl-2-adamantyl) ester O3-(3-oxocyclohexyl) ester IUPAC Name: 1-O-tert-butyl 5-O-(2-methyl-2-adamantyl) 3-O-(3-oxocyclohexyl) 1,3,5-trimethylheptane-1,3,5-tricarboxylate Traditional Name: 1,3,5-trimethylheptane-1,3,5-tricarboxylic acid O1-tert-butyl ester O3-(3-ketocyclohexyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C34H54O7 MolecularWeight: 574.78836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(CC(C)C(=O)OC(C)(C)C)C(=O)OC1CCCC(=O)C1)C(=O)OC2(C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC(C)(CC(C)(CC(C)C(=O)OC(C)(C)C)C(=O)OC1CCCC(=O)C1)C(=O)OC2(C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C34H54O7/c1-9-32(6,30(38)41-34(8)24-14-22-13-23(16-24)17-25(34)15-22)20-33(7,19-21(2)28(36)40-31(3,4)5)29(37)39-27-12-10-11-26(35)18-27/h21-25,27H,9-20H2,1-8H3