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2-ethanoyl-3-ethyl-octanoate

2-ethanoyl-3-ethyl-octanoate

Systemtic Name:2-ethanoyl-3-ethyl-octanoate
Openeye Name:2-acetyl-3-ethyl-octanoate
CAS Name:2-acetyl-3-ethyloctanoate
IUPAC Name:2-acetyl-3-ethyloctanoate
Traditional Name:2-acetyl-3-ethyl-caprylate
Formula: C12H21O3-
MolecularWeight: 213.29334
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H22O3/c1-4-6-7-8-10(5-2)11(9(3)13)12(14)15/h10-11H,4-8H2,1-3H3,(H,14,15)/p-1


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