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4-ethanoyl-2-ethyl-2-methyl-octanoate

4-ethanoyl-2-ethyl-2-methyl-octanoate

Systemtic Name:4-ethanoyl-2-ethyl-2-methyl-octanoate
Openeye Name:4-acetyl-2-ethyl-2-methyl-octanoate
CAS Name:4-acetyl-2-ethyl-2-methyloctanoate
IUPAC Name:4-acetyl-2-ethyl-2-methyloctanoate
Traditional Name:4-acetyl-2-ethyl-2-methyl-caprylate
Formula: C13H23O3-
MolecularWeight: 227.31992
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)(CC)C(=O)[O-])C(=O)C


Isomeric SMILES

CCCCC(CC(C)(CC)C(=O)[O-])C(=O)C


InChI

InChI=1S/C13H24O3/c1-5-7-8-11(10(3)14)9-13(4,6-2)12(15)16/h11H,5-9H2,1-4H3,(H,15,16)/p-1


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