ethyl (4R,5R)-4,5-dimethyl-3-oxidanylidene-octanoate

Systemtic Name: ethyl (4R,5R)-4,5-dimethyl-3-oxidanylidene-octanoate Openeye Name: ethyl (4R,5R)-4,5-dimethyl-3-oxo-octanoate CAS Name: (4R,5R)-4,5-dimethyl-3-oxooctanoic acid ethyl ester IUPAC Name: ethyl (4R,5R)-4,5-dimethyl-3-oxooctanoate Traditional Name: (4R,5R)-3-keto-4,5-dimethyl-caprylic acid ethyl ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C)C(=O)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C12H22O3/c1-5-7-9(3)10(4)11(13)8-12(14)15-6-2/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1