butan-2-yl 2-methyl-3-oxidanylidene-octanoate

Systemtic Name: butan-2-yl 2-methyl-3-oxidanylidene-octanoate Openeye Name: sec-butyl 2-methyl-3-oxo-octanoate CAS Name: 2-methyl-3-oxooctanoic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-methyl-3-oxooctanoate Traditional Name: 3-keto-2-methyl-caprylic acid sec-butyl ester Formula: C13H24O3 MolecularWeight: 228.32786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24O3/c1-5-7-8-9-12(14)11(4)13(15)16-10(3)6-2/h10-11H,5-9H2,1-4H3