zinc 2-[4-chloranyl-1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide

Systemtic Name: zinc 2-[4-chloranyl-1,1,2,2,3,3,4,4-octakis(fluoranyl)butyl]-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide Openeye Name: zinc 2-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide CAS Name: zinc 2-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide IUPAC Name: zinc 2-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)-5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-23,24-diide Traditional Name: zinc 2-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butyl)-5,10,15,20-tetrakis(4-chlorophenyl)porphine-23,24-diide Formula: C48H23Cl5F8N4Zn MolecularWeight: 1050.384246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Zn+2]

Isomeric SMILES

C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Zn+2]

InChI

InChI=1S/C48H23Cl5F8N4.Zn/c49-28-9-1-24(2-10-28)40-33-17-18-34(62-33)41(25-3-11-29(50)12-4-25)36-21-22-38(64-36)43(27-7-15-31(52)16-8-27)44-32(45(54,55)46(56,57)47(58,59)48(53,60)61)23-39(65-44)42(37-20-19-35(40)63-37)26-5-13-30(51)14-6-26;/h1-23H;/q-2;+2