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azanium 3-butylsulfanylpropanoate

azanium 3-butylsulfanylpropanoate

Systemtic Name:azanium 3-butylsulfanylpropanoate
Openeye Name:ammonium 3-butylsulfanylpropanoate
CAS Name:ammonium 3-(butylthio)propanoate
IUPAC Name:azanium 3-butylsulfanylpropanoate
Traditional Name:ammonium 3-(butylthio)propionate
Formula: C7H17NO2S
MolecularWeight: 179.28038
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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC(=O)[O-].[NH4+]


Isomeric SMILES

CCCCSCCC(=O)[O-].[NH4+]


InChI

InChI=1S/C7H14O2S.H3N/c1-2-3-5-10-6-4-7(8)9;/h2-6H2,1H3,(H,8,9);1H3


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