butanoate; octanoate; ethanoate

Systemtic Name: butanoate; octanoate; ethanoate Openeye Name: butanoate; octanoate; acetate CAS Name: butanoate; octanoate; acetate IUPAC Name: butanoate; octanoate; acetate Traditional Name: butyrate; caprylate; acetate Formula: C14H25O6-3 MolecularWeight: 289.3447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].CCCC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)[O-].CCCC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C8H16O2.C4H8O2.C2H4O2/c1-2-3-4-5-6-7-8(9)10;1-2-3-4(5)6;1-2(3)4/h2-7H2,1H3,(H,9,10);2-3H2,1H3,(H,5,6);1H3,(H,3,4)/p-3