3,3-dimethoxy-2-nitro-5,10,15,20-tetraphenyl-2H-porphyrin-22,24-diide; nickel(2+)

Systemtic Name: 3,3-dimethoxy-2-nitro-5,10,15,20-tetraphenyl-2H-porphyrin-22,24-diide; nickel(2+) Openeye Name: nickelous 3,3-dimethoxy-2-nitro-5,10,15,20-tetraphenyl-2H-porphyrin-22,24-diide CAS Name: 3,3-dimethoxy-2-nitro-5,10,15,20-tetraphenyl-2H-porphyrin-22,24-diide; nickel(2+) IUPAC Name: 3,3-dimethoxy-2-nitro-5,10,15,20-tetraphenyl-2H-porphyrin-22,24-diide; nickel(2+) Traditional Name: nickelous 3,3-dimethoxy-2-nitro-5,10,15,20-tetraphenyl-2H-porphine-22,24-diide Formula: C46H33N5NiO4 MolecularWeight: 778.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(C2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-])OC.[Ni+2]

Isomeric SMILES

COC1(C(C2=NC1=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC=CC=C6)[N-]5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)[N+](=O)[O-])OC.[Ni+2]

InChI

InChI=1S/C46H33N5O4.Ni/c1-54-46(55-2)44-42(32-21-13-6-14-22-32)38-28-26-36(49-38)40(30-17-9-4-10-18-30)34-24-23-33(47-34)39(29-15-7-3-8-16-29)35-25-27-37(48-35)41(31-19-11-5-12-20-31)43(50-44)45(46)51(52)53;/h3-28,45H,1-2H3;/q-2;+2