zinc N5,N15-bis(4-nitrophenyl)-10,20-diphenyl-porphyrin-22,23-diide-5,15-diamine

Systemtic Name: zinc N5,N15-bis(4-nitrophenyl)-10,20-diphenyl-porphyrin-22,23-diide-5,15-diamine Openeye Name: zinc N5,N15-bis(4-nitrophenyl)-10,20-diphenyl-porphyrin-22,23-diide-5,15-diamine CAS Name: zinc N5,N15-bis(4-nitrophenyl)-10,20-diphenylporphyrin-22,23-diide-5,15-diamine IUPAC Name: zinc 5-N,15-N-bis(4-nitrophenyl)-10,20-diphenylporphyrin-22,23-diide-5,15-diamine Traditional Name: zinc [15-(4-nitroanilino)-10,20-diphenyl-porphine-22,23-diid-5-yl]-(4-nitrophenyl)amine Formula: C44H28N8O4Zn MolecularWeight: 798.15332

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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)NC7=CC=C(C=C7)[N+](=O)[O-])C=C5)C8=CC=CC=C8)C=C4)NC9=CC=C(C=C9)[N+](=O)[O-])[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)NC7=CC=C(C=C7)[N+](=O)[O-])C=C5)C8=CC=CC=C8)C=C4)NC9=CC=C(C=C9)[N+](=O)[O-])[N-]3.[Zn+2]

InChI

InChI=1S/C44H28N8O4.Zn/c53-51(54)31-15-11-29(12-16-31)45-43-37-23-19-33(47-37)41(27-7-3-1-4-8-27)34-20-24-38(48-34)44(46-30-13-17-32(18-14-30)52(55)56)40-26-22-36(50-40)42(28-9-5-2-6-10-28)35-21-25-39(43)49-35;/h1-26,45-46H;/q-2;+2