butanoate; ethanenitrile; ethanoic acid; hydrate

Systemtic Name: butanoate; ethanenitrile; ethanoic acid; hydrate Openeye Name: acetic acid; acetonitrile; butanoate; hydrate CAS Name: acetic acid; acetonitrile; butanoate; hydrate IUPAC Name: acetic acid; acetonitrile; butanoate; hydrate Traditional Name: acetic acid; acetonitrile; butyrate; hydrate Formula: C8H16NO5- MolecularWeight: 206.21634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC#N.CC(=O)O.O

Isomeric SMILES

CCCC(=O)[O-].CC#N.CC(=O)O.O

InChI

InChI=1S/C4H8O2.C2H3N.C2H4O2.H2O/c1-2-3-4(5)6;1-2-3;1-2(3)4;/h2-3H2,1H3,(H,5,6);1H3;1H3,(H,3,4);1H2/p-1