[4-methyl-8-[C-methyl-N-(2-oxidaniumylcarbonylphenyl)carbonimidoyl]-2-oxidanylidene-chromen-7-yl]oxidanium; nickel; hydrate

Systemtic Name: [4-methyl-8-[C-methyl-N-(2-oxidaniumylcarbonylphenyl)carbonimidoyl]-2-oxidanylidene-chromen-7-yl]oxidanium; nickel; hydrate Openeye Name: [4-methyl-8-[C-methyl-N-(2-oxoniocarbonylphenyl)carbonimidoyl]-2-oxo-chromen-7-yl]oxonium; nickel; hydrate CAS Name: [[2-[1-(4-methyl-2-oxo-7-oxonio-1-benzopyran-8-yl)ethylideneamino]phenyl]-oxomethyl]oxonium; nickel; hydrate IUPAC Name: [4-methyl-8-[C-methyl-N-(2-oxoniocarbonylphenyl)carbonimidoyl]-2-oxochromen-7-yl]oxidanium; nickel; hydrate Traditional Name: [2-keto-4-methyl-8-[C-methyl-N-(2-oxoniocarbonylphenyl)carbonimidoyl]chromen-7-yl]oxonium; nickel; hydrate Formula: C19H19NNiO6+2 MolecularWeight: 416.05066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3C(=O)[OH2+])C)[OH2+].O.[Ni]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=NC3=CC=CC=C3C(=O)[OH2+])C)[OH2+].O.[Ni]

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/p+2