2-azanyl-4-methylsulfanyl-butanoic acid; methylsulfanium; sulfate

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; methylsulfanium; sulfate Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; methylsulfonium; sulfate CAS Name: 2-amino-4-(methylthio)butanoic acid; methylsulfonium; sulfate IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; methylsulfanium; sulfate Traditional Name: 2-amino-4-(methylthio)butyric acid; methylsulfonium; sulfate Formula: C12H32N2O8S5 MolecularWeight: 492.71608

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Descriptors Computed from Structure

Canonical SMILES:

C[SH2+].C[SH2+].CSCCC(C(=O)O)N.CSCCC(C(=O)O)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[SH2+].C[SH2+].CSCCC(C(=O)O)N.CSCCC(C(=O)O)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C5H11NO2S.2CH4S.H2O4S/c2*1-9-3-2-4(6)5(7)8;2*1-2;1-5(2,3)4/h2*4H,2-3,6H2,1H3,(H,7,8);2*2H,1H3;(H2,1,2,3,4)