2-azanyl-4-dimethylsulfonio-butanoate; cobalt(2+); 2-oxidanylidenepentanedioate; hydrochloride

Systemtic Name: 2-azanyl-4-dimethylsulfonio-butanoate; cobalt(2+); 2-oxidanylidenepentanedioate; hydrochloride Openeye Name: cobaltous; 2-amino-4-dimethylsulfonio-butanoate; 2-oxopentanedioate; hydrochloride CAS Name: 2-amino-4-dimethylsulfoniobutanoate; cobalt(2+); 2-oxopentanedioate; hydrochloride IUPAC Name: 2-amino-4-dimethylsulfoniobutanoate; cobalt(2+); 2-oxopentanedioate; hydrochloride Traditional Name: cobaltous; 2-amino-4-dimethylsulfonio-butyrate; 2-ketoglutarate; hydrochloride Formula: C11H18ClCoNO7S MolecularWeight: 402.71432

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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-].Cl.[Co+2]

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO2S.C5H6O5.ClH.Co/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;/q;;;+2/p-2