zinc; 2-azanyl-4-dimethylsulfonio-butanoate; 2-oxidanylidenepentanedioate; hydrate; hydrochloride

Systemtic Name: zinc; 2-azanyl-4-dimethylsulfonio-butanoate; 2-oxidanylidenepentanedioate; hydrate; hydrochloride Openeye Name: zinc; 2-amino-4-dimethylsulfonio-butanoate; 2-oxopentanedioate; hydrate; hydrochloride CAS Name: zinc; 2-amino-4-dimethylsulfoniobutanoate; 2-oxopentanedioate; hydrate; hydrochloride IUPAC Name: zinc; 2-amino-4-dimethylsulfoniobutanoate; 2-oxopentanedioate; hydrate; hydrochloride Traditional Name: zinc; 2-amino-4-dimethylsulfonio-butyrate; 2-ketoglutarate; hydrate; hydrochloride Formula: C11H20ClNO8SZn MolecularWeight: 427.2054

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCC(C(=O)[O-])N.C(CC(=O)[O-])C(=O)C(=O)[O-].O.Cl.[Zn+2]

Isomeric SMILES

C[S+](C)CCC(C(=O)[O-])N.C(CC(=O)[O-])C(=O)C(=O)[O-].O.Cl.[Zn+2]

InChI

InChI=1S/C6H13NO2S.C5H6O5.ClH.H2O.Zn/c1-10(2)4-3-5(7)6(8)9;6-3(5(9)10)1-2-4(7)8;;;/h5H,3-4,7H2,1-2H3;1-2H2,(H,7,8)(H,9,10);1H;1H2;/q;;;;+2/p-2