3-methyl-2-oxidanylidene-octanoate

Systemtic Name: 3-methyl-2-oxidanylidene-octanoate Openeye Name: 3-methyl-2-oxo-octanoate CAS Name: 3-methyl-2-oxooctanoate IUPAC Name: 3-methyl-2-oxooctanoate Traditional Name: 2-keto-3-methyl-caprylate Formula: C9H15O3- MolecularWeight: 171.2136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)C(=O)[O-]

Isomeric SMILES

CCCCCC(C)C(=O)C(=O)[O-]

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-7(2)8(10)9(11)12/h7H,3-6H2,1-2H3,(H,11,12)/p-1