ethyl 2-ethanoyl-4,5,5-trimethyl-hexanoate

Systemtic Name: ethyl 2-ethanoyl-4,5,5-trimethyl-hexanoate Openeye Name: ethyl 2-acetyl-4,5,5-trimethyl-hexanoate CAS Name: 2-acetyl-4,5,5-trimethylhexanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-4,5,5-trimethylhexanoate Traditional Name: 2-acetyl-4,5,5-trimethyl-hexanoic acid ethyl ester Formula: C13H24O3 MolecularWeight: 228.32786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C(C)(C)C)C(=O)C

Isomeric SMILES

CCOC(=O)C(CC(C)C(C)(C)C)C(=O)C

InChI

InChI=1S/C13H24O3/c1-7-16-12(15)11(10(3)14)8-9(2)13(4,5)6/h9,11H,7-8H2,1-6H3