5,15-bis(4-nitrophenoxy)-10,20-diphenyl-porphyrin-22,23-diide; nickel(2+)

Systemtic Name: 5,15-bis(4-nitrophenoxy)-10,20-diphenyl-porphyrin-22,23-diide; nickel(2+) Openeye Name: nickelous 5,15-bis(4-nitrophenoxy)-10,20-diphenyl-porphyrin-22,23-diide CAS Name: 5,15-bis(4-nitrophenoxy)-10,20-diphenylporphyrin-22,23-diide; nickel(2+) IUPAC Name: 5,15-bis(4-nitrophenoxy)-10,20-diphenylporphyrin-22,23-diide; nickel(2+) Traditional Name: nickelous 5,15-bis(4-nitrophenoxy)-10,20-diphenyl-porphine-22,23-diide Formula: C44H26N6NiO6 MolecularWeight: 793.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)OC7=CC=C(C=C7)[N+](=O)[O-])C=C5)C8=CC=CC=C8)C=C4)OC9=CC=C(C=C9)[N+](=O)[O-])[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)OC7=CC=C(C=C7)[N+](=O)[O-])C=C5)C8=CC=CC=C8)C=C4)OC9=CC=C(C=C9)[N+](=O)[O-])[N-]3.[Ni+2]

InChI

InChI=1S/C44H26N6O6.Ni/c51-49(52)29-11-15-31(16-12-29)55-43-37-23-19-33(45-37)41(27-7-3-1-4-8-27)34-20-24-38(46-34)44(56-32-17-13-30(14-18-32)50(53)54)40-26-22-36(48-40)42(28-9-5-2-6-10-28)35-21-25-39(43)47-35;/h1-26H;/q-2;+2