magnesium 2-azanyl-4-(1H-benzimidazol-2-yl)butanoate decahydrate

Systemtic Name: magnesium 2-azanyl-4-(1H-benzimidazol-2-yl)butanoate decahydrate Openeye Name: magnesium 2-amino-4-(1H-benzimidazol-2-yl)butanoate decahydrate CAS Name: magnesium 2-amino-4-(1H-benzimidazol-2-yl)butanoate decahydrate IUPAC Name: magnesium 2-amino-4-(1H-benzimidazol-2-yl)butanoate decahydrate Traditional Name: magnesium 2-amino-4-(1H-benzimidazol-2-yl)butyrate decahydrate Formula: C22H44MgN6O14 MolecularWeight: 640.92156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCC(C(=O)[O-])N.C1=CC=C2C(=C1)NC(=N2)CCC(C(=O)[O-])N.O.O.O.O.O.O.O.O.O.O.[Mg+2]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCC(C(=O)[O-])N.C1=CC=C2C(=C1)NC(=N2)CCC(C(=O)[O-])N.O.O.O.O.O.O.O.O.O.O.[Mg+2]

InChI

InChI=1S/2C11H13N3O2.Mg.10H2O/c2*12-7(11(15)16)5-6-10-13-8-3-1-2-4-9(8)14-10;;;;;;;;;;;/h2*1-4,7H,5-6,12H2,(H,13,14)(H,15,16);;10*1H2/q;;+2;;;;;;;;;;/p-2