methyl 2-ethanoyl-7-methyl-octanoate

Systemtic Name: methyl 2-ethanoyl-7-methyl-octanoate Openeye Name: methyl 2-acetyl-7-methyl-octanoate CAS Name: 2-acetyl-7-methyloctanoic acid methyl ester IUPAC Name: methyl 2-acetyl-7-methyloctanoate Traditional Name: 2-acetyl-7-methyl-caprylic acid methyl ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C(=O)C)C(=O)OC

Isomeric SMILES

CC(C)CCCCC(C(=O)C)C(=O)OC

InChI

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