(NE,1Z)-4-chloranyl-N-(furan-2-ylmethylidene)benzenecarbohydrazonate; nickel(2+); dihydrate

Systemtic Name: (NE,1Z)-4-chloranyl-N-(furan-2-ylmethylidene)benzenecarbohydrazonate; nickel(2+); dihydrate Openeye Name: nickelous (NE,1Z)-4-chloro-N-(2-furylmethylene)benzenecarbohydrazonate dihydrate CAS Name: (NE,1Z)-4-chloro-N-(2-furanylmethylidene)benzenecarbohydrazonate; nickel(2+); dihydrate IUPAC Name: (NE,1Z)-4-chloro-N-(furan-2-ylmethylidene)benzenecarbohydrazonate; nickel(2+); dihydrate Traditional Name: nickelous (NE,1Z)-4-chloro-N-(2-furfurylidene)benzenecarbohydrazonate dihydrate Formula: C24H20Cl2N4NiO6 MolecularWeight: 590.0382

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=NN=C(C2=CC=C(C=C2)Cl)[O-].C1=COC(=C1)C=NN=C(C2=CC=C(C=C2)Cl)[O-].O.O.[Ni+2]

Isomeric SMILES

C1=COC(=C1)/C=N/N=C(\[O-])/C2=CC=C(C=C2)Cl.C1=COC(=C1)/C=N/N=C(\[O-])/C2=CC=C(C=C2)Cl.O.O.[Ni+2]

InChI

InChI=1S/2C12H9ClN2O2.Ni.2H2O/c2*13-10-5-3-9(4-6-10)12(16)15-14-8-11-2-1-7-17-11;;;/h2*1-8H,(H,15,16);;2*1H2/q;;+2;;/p-2/b2*14-8+;;;