zinc 2,3,7,8,12,13,17-heptakis(bromanyl)-18-nitro-5,10,15,20-tetraphenyl-porphyrin-22,23-diide

Systemtic Name: zinc 2,3,7,8,12,13,17-heptakis(bromanyl)-18-nitro-5,10,15,20-tetraphenyl-porphyrin-22,23-diide Openeye Name: zinc 2,3,7,8,12,13,17-heptabromo-18-nitro-5,10,15,20-tetraphenyl-porphyrin-22,23-diide CAS Name: zinc 2,3,7,8,12,13,17-heptabromo-18-nitro-5,10,15,20-tetraphenylporphyrin-22,23-diide IUPAC Name: zinc 2,3,7,8,12,13,17-heptabromo-18-nitro-5,10,15,20-tetraphenylporphyrin-22,23-diide Traditional Name: zinc 2,3,7,8,12,13,17-heptabromo-18-nitro-5,10,15,20-tetraphenyl-porphine-22,23-diide Formula: C44H20Br7N5O2Zn MolecularWeight: 1275.3989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Br)Br)C7=CC=CC=C7)C(=C5Br)Br)C8=CC=CC=C8)C(=C4Br)[N+](=O)[O-])C9=CC=CC=C9)[N-]3)Br)Br.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=C(C(=C(C4=NC(=C(C5=NC(=C(C6=C(C(=C2[N-]6)Br)Br)C7=CC=CC=C7)C(=C5Br)Br)C8=CC=CC=C8)C(=C4Br)[N+](=O)[O-])C9=CC=CC=C9)[N-]3)Br)Br.[Zn+2]

InChI

InChI=1S/C44H20Br7N5O2.Zn/c45-29-30(46)37-26(22-15-7-2-8-16-22)39-33(49)34(50)41(54-39)28(24-19-11-4-12-20-24)43-44(56(57)58)35(51)42(55-43)27(23-17-9-3-10-18-23)40-32(48)31(47)38(53-40)25(36(29)52-37)21-13-5-1-6-14-21;/h1-20H;/q-2;+2