nickel(2+); 2-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diide

Systemtic Name: nickel(2+); 2-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diide Openeye Name: nickelous 2-nitro-5,10,15,20-tetraphenyl-porphyrin-22,24-diide CAS Name: nickel(2+); 2-nitro-5,10,15,20-tetraphenylporphyrin-22,24-diide IUPAC Name: nickel(2+); 2-nitro-5,10,15,20-tetraphenylporphyrin-22,24-diide Traditional Name: nickelous 2-nitro-5,10,15,20-tetraphenyl-porphine-22,24-diide Formula: C44H27N5NiO2 MolecularWeight: 716.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)[N+](=O)[O-])C9=CC=CC=C9)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)[N+](=O)[O-])C9=CC=CC=C9)[N-]3.[Ni+2]

InChI

InChI=1S/C44H27N5O2.Ni/c50-49(51)39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31;/h1-27H;/q-2;+2