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

Systemtic Name: O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(3-oxidanylidenecyclohexyl) 1,3-dimethylheptane-1,3,5-tricarboxylate Openeye Name: O1-tert-butyl O5-(2-methyl-2-adamantyl) O3-(3-oxocyclohexyl) 1,3-dimethylheptane-1,3,5-tricarboxylate CAS Name: 1,3-dimethylheptane-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-dimethylheptane-1,3,5-tricarboxylate Traditional Name: 1,3-dimethylheptane-1,3,5-tricarboxylic acid O1-tert-butyl ester O3-(3-ketocyclohexyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C33H52O7 MolecularWeight: 560.76178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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(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/C33H52O7/c1-8-23(29(36)40-33(7)24-13-21-12-22(15-24)16-25(33)14-21)19-32(6,18-20(2)28(35)39-31(3,4)5)30(37)38-27-11-9-10-26(34)17-27/h20-25,27H,8-19H2,1-7H3