O1-[4-(1-adamantyl)-4-oxidanylidene-butan-2-yl] O6-methyl 2-ethyl-2,5,5-trimethyl-hexanedioate

Systemtic Name: O1-[4-(1-adamantyl)-4-oxidanylidene-butan-2-yl] O6-methyl 2-ethyl-2,5,5-trimethyl-hexanedioate Openeye Name: O1-[3-(1-adamantyl)-1-methyl-3-oxo-propyl] O6-methyl 2-ethyl-2,5,5-trimethyl-hexanedioate CAS Name: 2-ethyl-2,5,5-trimethylhexanedioic acid O1-[4-(1-adamantyl)-4-oxobutan-2-yl] ester O6-methyl ester IUPAC Name: 1-O-[4-(1-adamantyl)-4-oxobutan-2-yl] 6-O-methyl 2-ethyl-2,5,5-trimethylhexanedioate Traditional Name: 2-ethyl-2,5,5-trimethyl-adipic acid O1-[3-(1-adamantyl)-3-keto-1-methyl-propyl] ester O6-methyl ester Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(C)(C)C(=O)OC)C(=O)OC(C)CC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)(CCC(C)(C)C(=O)OC)C(=O)OC(C)CC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C26H42O5/c1-7-25(5,9-8-24(3,4)22(28)30-6)23(29)31-17(2)10-21(27)26-14-18-11-19(15-26)13-20(12-18)16-26/h17-20H,7-16H2,1-6H3