ethanoic acid; ethyl octanoate

Systemtic Name: ethanoic acid; ethyl octanoate Openeye Name: acetic acid; ethyl octanoate CAS Name: acetic acid; octanoic acid ethyl ester IUPAC Name: acetic acid; ethyl octanoate Traditional Name: acetic acid; caprylic acid ethyl ester Formula: C22H44O14 MolecularWeight: 532.57636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCC(=O)OCC.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C10H20O2.6C2H4O2/c1-3-5-6-7-8-9-10(11)12-4-2;6*1-2(3)4/h3-9H2,1-2H3;6*1H3,(H,3,4)