O1-[2-(1-adamantyl)propan-2-yl] O5-(3-oxidanylidenecyclohexyl) 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-[2-(1-adamantyl)propan-2-yl] O5-(3-oxidanylidenecyclohexyl) 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-[1-(1-adamantyl)-1-methyl-ethyl] O5-(3-oxocyclohexyl) 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-[2-(1-adamantyl)propan-2-yl] ester O5-(3-oxocyclohexyl) ester IUPAC Name: 1-O-[2-(1-adamantyl)propan-2-yl] 5-O-(3-oxocyclohexyl) 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 2-ethyl-2,4,4-trimethyl-glutaric acid O1-[1-(1-adamantyl)-1-methyl-ethyl] ester O5-(3-ketocyclohexyl) ester Formula: C29H46O5 MolecularWeight: 474.67254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC1CCCC(=O)C1)C(=O)OC(C)(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC1CCCC(=O)C1)C(=O)OC(C)(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C29H46O5/c1-7-28(6,18-26(2,3)24(31)33-23-10-8-9-22(30)14-23)25(32)34-27(4,5)29-15-19-11-20(16-29)13-21(12-19)17-29/h19-21,23H,7-18H2,1-6H3