O1-(2-methyl-2-adamantyl) O5-(3-oxidanylidenecyclohexyl) 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-(3-oxidanylidenecyclohexyl) 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O5-(3-oxocyclohexyl) 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-(2-methyl-2-adamantyl) ester O5-(3-oxocyclohexyl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-(3-oxocyclohexyl) 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-(3-ketocyclohexyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C27H42O5 MolecularWeight: 446.61938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42O5/c1-6-26(4,16-25(2,3)23(29)31-22-9-7-8-21(28)15-22)24(30)32-27(5)19-11-17-10-18(13-19)14-20(27)12-17/h17-20,22H,6-16H2,1-5H3