3-(4-chloranylbutanimidoylimino)isoindol-1-olate; nickel(2+); hydrate

Systemtic Name: 3-(4-chloranylbutanimidoylimino)isoindol-1-olate; nickel(2+); hydrate Openeye Name: nickelous 3-(4-chlorobutanimidoylimino)isoindol-1-olate hydrate CAS Name: 3-(4-chloro-1-iminobutyl)imino-1-isoindololate; nickel(2+); hydrate IUPAC Name: 3-(4-chlorobutanimidoylimino)isoindol-1-olate; nickel(2+); hydrate Traditional Name: nickelous 3-(4-chlorobutanimidoylimino)isoindol-1-olate hydrate Formula: C24H24Cl2N6NiO3 MolecularWeight: 574.08516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC2=NC(=N)CCCCl)[O-].C1=CC=C2C(=C1)C(=NC2=NC(=N)CCCCl)[O-].O.[Ni+2]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC2=NC(=N)CCCCl)[O-].C1=CC=C2C(=C1)C(=NC2=NC(=N)CCCCl)[O-].O.[Ni+2]

InChI

InChI=1S/2C12H12ClN3O.Ni.H2O/c2*13-7-3-6-10(14)15-11-8-4-1-2-5-9(8)12(17)16-11;;/h2*1-2,4-5H,3,6-7H2,(H2,14,15,16,17);;1H2/q;;+2;/p-2