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

Systemtic Name: [3-(hydroxymethyl)-2,2-dimethyl-1-adamantyl] 3-oxidanylidenebutanoate Openeye Name: [3-(hydroxymethyl)-2,2-dimethyl-1-adamantyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [3-(hydroxymethyl)-2,2-dimethyl-1-adamantyl] ester IUPAC Name: [3-(hydroxymethyl)-2,2-dimethyl-1-adamantyl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid (2,2-dimethyl-3-methylol-1-adamantyl) ester Formula: C17H26O4 MolecularWeight: 294.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC12CC3CC(C1)CC(C3)(C2(C)C)CO

Isomeric SMILES

CC(=O)CC(=O)OC12CC3CC(C1)CC(C3)(C2(C)C)CO

InChI

InChI=1S/C17H26O4/c1-11(19)4-14(20)21-17-8-12-5-13(9-17)7-16(6-12,10-18)15(17,2)3/h12-13,18H,4-10H2,1-3H3