[2,2-diethyl-3-(hydroxymethyl)-1-adamantyl] 3-oxidanylidenebutanoate

Systemtic Name: [2,2-diethyl-3-(hydroxymethyl)-1-adamantyl] 3-oxidanylidenebutanoate Openeye Name: [2,2-diethyl-3-(hydroxymethyl)-1-adamantyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [2,2-diethyl-3-(hydroxymethyl)-1-adamantyl] ester IUPAC Name: [2,2-diethyl-3-(hydroxymethyl)-1-adamantyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid (2,2-diethyl-3-methylol-1-adamantyl) ester Formula: C19H30O4 MolecularWeight: 322.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2(CC3CC(C2)CC1(C3)OC(=O)CC(=O)C)CO)CC

Isomeric SMILES

CCC1(C2(CC3CC(C2)CC1(C3)OC(=O)CC(=O)C)CO)CC

InChI

InChI=1S/C19H30O4/c1-4-18(5-2)17(12-20)8-14-7-15(9-17)11-19(18,10-14)23-16(22)6-13(3)21/h14-15,20H,4-12H2,1-3H3