O1-(2-methyl-2-adamantyl) O5-(2-methyl-5-oxidanylidene-hexan-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-(2-methyl-5-oxidanylidene-hexan-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(1-isopropyl-3-oxo-butyl) O5-(2-methyl-2-adamantyl) 4-ethyl-2,2,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-(2-methyl-2-adamantyl) ester O5-(2-methyl-5-oxohexan-3-yl) ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-(2-methyl-5-oxohexan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-(1-isopropyl-3-keto-butyl) ester O5-(2-methyl-2-adamantyl) ester Formula: C28H46O5 MolecularWeight: 462.66184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC(CC(=O)C)C(C)C)C(=O)OC1(C2CC3CC(C2)CC1C3)C

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC(CC(=O)C)C(C)C)C(=O)OC1(C2CC3CC(C2)CC1C3)C

InChI

InChI=1S/C28H46O5/c1-9-27(7,16-26(5,6)24(30)32-23(17(2)3)10-18(4)29)25(31)33-28(8)21-12-19-11-20(14-21)15-22(28)13-19/h17,19-23H,9-16H2,1-8H3