oxidanium; 2-[1-(4-methyl-7-oxidanidyl-2-oxidanylidene-chromen-8-yl)ethylideneamino]benzoate; nickel(2+)

Systemtic Name: oxidanium; 2-[1-(4-methyl-7-oxidanidyl-2-oxidanylidene-chromen-8-yl)ethylideneamino]benzoate; nickel(2+) Openeye Name: nickelous oxonium 2-[1-(4-methyl-7-oxido-2-oxo-chromen-8-yl)ethylideneamino]benzoate CAS Name: oxonium; 2-[1-(4-methyl-7-oxido-2-oxo-1-benzopyran-8-yl)ethylideneamino]benzoate; nickel(2+) IUPAC Name: oxidanium; 2-[1-(4-methyl-7-oxido-2-oxochromen-8-yl)ethylideneamino]benzoate; nickel(2+) Traditional Name: nickelous oxonium 2-[1-(2-keto-4-methyl-7-oxido-chromen-8-yl)ethylideneamino]benzoate Formula: C19H16NNiO6+ MolecularWeight: 413.02684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3C(=O)[O-])C)[O-].[OH3+].[Ni+2]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3C(=O)[O-])C)[O-].[OH3+].[Ni+2]

InChI

InChI=1S/C19H15NO5.Ni.H2O/c1-10-9-16(22)25-18-12(10)7-8-15(21)17(18)11(2)20-14-6-4-3-5-13(14)19(23)24;;/h3-9,21H,1-2H3,(H,23,24);;1H2/q;+2;/p-1