methyl 2,2,3,6,6-pentamethyl-5-oxidanylidene-heptanoate

Systemtic Name: methyl 2,2,3,6,6-pentamethyl-5-oxidanylidene-heptanoate Openeye Name: methyl 2,2,3,6,6-pentamethyl-5-oxo-heptanoate CAS Name: 2,2,3,6,6-pentamethyl-5-oxoheptanoic acid methyl ester IUPAC Name: methyl 2,2,3,6,6-pentamethyl-5-oxoheptanoate Traditional Name: 5-keto-2,2,3,6,6-pentamethyl-enanthic acid methyl ester Formula: C13H24O3 MolecularWeight: 228.32786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(C)(C)C)C(C)(C)C(=O)OC

Isomeric SMILES

CC(CC(=O)C(C)(C)C)C(C)(C)C(=O)OC

InChI

InChI=1S/C13H24O3/c1-9(8-10(14)12(2,3)4)13(5,6)11(15)16-7/h9H,8H2,1-7H3