(4-methyl-1-oxidanylidene-nonan-4-yl) ethanoate

Systemtic Name: (4-methyl-1-oxidanylidene-nonan-4-yl) ethanoate Openeye Name: [1-methyl-1-(3-oxopropyl)hexyl] acetate CAS Name: acetic acid (4-methyl-1-oxononan-4-yl) ester IUPAC Name: (4-methyl-1-oxononan-4-yl) acetate Traditional Name: acetic acid [1-(3-ketopropyl)-1-methyl-hexyl] ester Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCC=O)OC(=O)C

Isomeric SMILES

CCCCCC(C)(CCC=O)OC(=O)C

InChI

InChI=1S/C12H22O3/c1-4-5-6-8-12(3,9-7-10-13)15-11(2)14/h10H,4-9H2,1-3H3