2-[(4-methyl-7-oxidanidyl-2-oxidanylidene-chromen-8-yl)methylamino]ethanoate; nickel(2+); trihydrate

Systemtic Name: 2-[(4-methyl-7-oxidanidyl-2-oxidanylidene-chromen-8-yl)methylamino]ethanoate; nickel(2+); trihydrate Openeye Name: nickelous 2-[(4-methyl-7-oxido-2-oxo-chromen-8-yl)methylamino]acetate trihydrate CAS Name: 2-[(4-methyl-7-oxido-2-oxo-1-benzopyran-8-yl)methylamino]acetate; nickel(2+); trihydrate IUPAC Name: 2-[(4-methyl-7-oxido-2-oxochromen-8-yl)methylamino]acetate; nickel(2+); trihydrate Traditional Name: nickelous 2-[(2-keto-4-methyl-7-oxido-chromen-8-yl)methylamino]acetate trihydrate Formula: C13H17NNiO8 MolecularWeight: 373.96938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2CNCC(=O)[O-])[O-].O.O.O.[Ni+2]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2CNCC(=O)[O-])[O-].O.O.O.[Ni+2]

InChI

InChI=1S/C13H13NO5.Ni.3H2O/c1-7-4-12(18)19-13-8(7)2-3-10(15)9(13)5-14-6-11(16)17;;;;/h2-4,14-15H,5-6H2,1H3,(H,16,17);;3*1H2/q;+2;;;/p-2