zinc 2,3,7,8,12,13,17,18-octakis(fluoranyl)-5,10,15,20-tetraphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 2,3,7,8,12,13,17,18-octakis(fluoranyl)-5,10,15,20-tetraphenyl-porphyrin-21,22-diide Openeye Name: zinc 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-porphyrin-21,22-diide CAS Name: zinc 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenylporphyrin-21,22-diide IUPAC Name: zinc 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenylporphyrin-21,22-diide Traditional Name: zinc 2,3,7,8,12,13,17,18-octafluoro-5,10,15,20-tetraphenyl-porphine-21,22-diide Formula: C44H20F8N4Zn MolecularWeight: 822.052626

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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)F)F)C7=CC=CC=C7)C(=C5F)F)C8=CC=CC=C8)C(=C4F)F)C9=CC=CC=C9)[N-]3)F)F.[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)F)F)C7=CC=CC=C7)C(=C5F)F)C8=CC=CC=C8)C(=C4F)F)C9=CC=CC=C9)[N-]3)F)F.[Zn+2]

InChI

InChI=1S/C44H20F8N4.Zn/c45-29-31(47)39-26(22-15-7-2-8-16-22)41-33(49)35(51)43(55-41)28(24-19-11-4-12-20-24)44-36(52)34(50)42(56-44)27(23-17-9-3-10-18-23)40-32(48)30(46)38(54-40)25(37(29)53-39)21-13-5-1-6-14-21;/h1-20H;/q-2;+2