(3-oxidanylidenecyclohexyl) 4-[1-adamantyloxy(methoxy)methyl]-2,2,4-trimethyl-hexanoate

Systemtic Name: (3-oxidanylidenecyclohexyl) 4-[1-adamantyloxy(methoxy)methyl]-2,2,4-trimethyl-hexanoate Openeye Name: (3-oxocyclohexyl) 4-[1-adamantyloxy(methoxy)methyl]-2,2,4-trimethyl-hexanoate CAS Name: 4-[1-adamantyloxy(methoxy)methyl]-2,2,4-trimethylhexanoic acid (3-oxocyclohexyl) ester IUPAC Name: (3-oxocyclohexyl) 4-[1-adamantyloxy(methoxy)methyl]-2,2,4-trimethylhexanoate Traditional Name: 4-[1-adamantyloxy(methoxy)methyl]-2,2,4-trimethyl-hexanoic acid (3-ketocyclohexyl) ester Formula: C27H44O5 MolecularWeight: 448.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC1CCCC(=O)C1)C(OC)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC1CCCC(=O)C1)C(OC)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H44O5/c1-6-26(4,17-25(2,3)23(29)31-22-9-7-8-21(28)13-22)24(30-5)32-27-14-18-10-19(15-27)12-20(11-18)16-27/h18-20,22,24H,6-17H2,1-5H3