methyl 2,4,4-trimethyl-7-oxidanylidene-octanoate

Systemtic Name: methyl 2,4,4-trimethyl-7-oxidanylidene-octanoate Openeye Name: methyl 2,4,4-trimethyl-7-oxo-octanoate CAS Name: 2,4,4-trimethyl-7-oxooctanoic acid methyl ester IUPAC Name: methyl 2,4,4-trimethyl-7-oxooctanoate Traditional Name: 7-keto-2,4,4-trimethyl-caprylic acid methyl ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)CCC(=O)C)C(=O)OC

Isomeric SMILES

CC(CC(C)(C)CCC(=O)C)C(=O)OC

InChI

InChI=1S/C12H22O3/c1-9(11(14)15-5)8-12(3,4)7-6-10(2)13/h9H,6-8H2,1-5H3