ethyl (2S)-3-oxidanylidene-2-propyl-heptanoate

Systemtic Name: ethyl (2S)-3-oxidanylidene-2-propyl-heptanoate Openeye Name: ethyl (2S)-3-oxo-2-propyl-heptanoate CAS Name: (2S)-3-oxo-2-propylheptanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-oxo-2-propylheptanoate Traditional Name: (2S)-3-keto-2-propyl-enanthic acid ethyl ester Formula: C12H22O3 MolecularWeight: 214.30128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CCC)C(=O)OCC

Isomeric SMILES

CCCCC(=O)[C@H](CCC)C(=O)OCC

InChI

InChI=1S/C12H22O3/c1-4-7-9-11(13)10(8-5-2)12(14)15-6-3/h10H,4-9H2,1-3H3/t10-/m0/s1