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

Systemtic Name: zinc 2,3,7,8,12,13-hexakis(bromanyl)-17-nitro-5,10,15,20-tetraphenyl-porphyrin-22,23-diide Openeye Name: zinc 2,3,7,8,12,13-hexabromo-17-nitro-5,10,15,20-tetraphenyl-porphyrin-22,23-diide CAS Name: zinc 2,3,7,8,12,13-hexabromo-17-nitro-5,10,15,20-tetraphenylporphyrin-22,23-diide IUPAC Name: zinc 2,3,7,8,12,13-hexabromo-17-nitro-5,10,15,20-tetraphenylporphyrin-22,23-diide Traditional Name: zinc 2,3,7,8,12,13-hexabromo-17-nitro-5,10,15,20-tetraphenyl-porphine-22,23-diide Formula: C44H21Br6N5O2Zn MolecularWeight: 1196.50284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C(=N3)C(=C4C(=C(C(=C(C5=C(C(=C([N-]5)C(=C6C(=C(C2=N6)Br)Br)C7=CC=CC=C7)Br)Br)C8=CC=CC=C8)[N-]4)Br)Br)C9=CC=CC=C9)[N+](=O)[O-].[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C(=N3)C(=C4C(=C(C(=C(C5=C(C(=C([N-]5)C(=C6C(=C(C2=N6)Br)Br)C7=CC=CC=C7)Br)Br)C8=CC=CC=C8)[N-]4)Br)Br)C9=CC=CC=C9)[N+](=O)[O-].[Zn+2]

InChI

InChI=1S/C44H21Br6N5O2.Zn/c45-32-33(46)41-30(24-17-9-3-10-18-24)43-36(49)37(50)44(54-43)31(25-19-11-4-12-20-25)42-35(48)34(47)40(53-42)29(23-15-7-2-8-16-23)38-27(55(56)57)21-26(51-38)28(39(32)52-41)22-13-5-1-6-14-22;/h1-21H;/q-2;+2