octan-2-yl 2-methyl-3-oxidanylidene-butanoate

Systemtic Name: octan-2-yl 2-methyl-3-oxidanylidene-butanoate Openeye Name: 1-methylheptyl 2-methyl-3-oxo-butanoate CAS Name: 2-methyl-3-oxobutanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 2-methyl-3-oxobutanoate Traditional Name: 3-keto-2-methyl-butyric acid 1-methylheptyl ester Formula: C13H24O3 MolecularWeight: 228.32786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C(C)C(=O)C

Isomeric SMILES

CCCCCCC(C)OC(=O)C(C)C(=O)C

InChI

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