methyl (3S)-3,6,6-trimethyl-5-oxidanylidene-heptanoate

Systemtic Name: methyl (3S)-3,6,6-trimethyl-5-oxidanylidene-heptanoate Openeye Name: methyl (3S)-3,6,6-trimethyl-5-oxo-heptanoate CAS Name: (3S)-3,6,6-trimethyl-5-oxoheptanoic acid methyl ester IUPAC Name: methyl (3S)-3,6,6-trimethyl-5-oxoheptanoate Traditional Name: (3S)-5-keto-3,6,6-trimethyl-enanthic acid methyl ester Formula: C11H20O3 MolecularWeight: 200.2747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CC(=O)C(C)(C)C)CC(=O)OC

InChI

InChI=1S/C11H20O3/c1-8(7-10(13)14-5)6-9(12)11(2,3)4/h8H,6-7H2,1-5H3/t8-/m0/s1