O1-(3,5-dimethyl-1-adamantyl) O5-(3-oxidanylidenecyclohexyl) 4-ethyl-2,2,4-trimethyl-pentanedioate

Systemtic Name: O1-(3,5-dimethyl-1-adamantyl) O5-(3-oxidanylidenecyclohexyl) 4-ethyl-2,2,4-trimethyl-pentanedioate Openeye Name: O1-(3,5-dimethyl-1-adamantyl) O5-(3-oxocyclohexyl) 4-ethyl-2,2,4-trimethyl-pentanedioate CAS Name: 4-ethyl-2,2,4-trimethylpentanedioic acid O1-(3,5-dimethyl-1-adamantyl) ester O5-(3-oxocyclohexyl) ester IUPAC Name: 1-O-(3,5-dimethyl-1-adamantyl) 5-O-(3-oxocyclohexyl) 4-ethyl-2,2,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-(3,5-dimethyl-1-adamantyl) ester O5-(3-ketocyclohexyl) ester Formula: C28H44O5 MolecularWeight: 460.64596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)C)C)C(=O)OC4CCCC(=O)C4

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)C)C)C(=O)OC4CCCC(=O)C4

InChI

InChI=1S/C28H44O5/c1-7-27(6,23(31)32-21-10-8-9-20(29)11-21)15-24(2,3)22(30)33-28-14-19-12-25(4,17-28)16-26(5,13-19)18-28/h19,21H,7-18H2,1-6H3