zinc 10-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-2-ethynyl-5,15-diphenyl-porphyrin-22,23-diide

Systemtic Name: zinc 10-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-2-ethynyl-5,15-diphenyl-porphyrin-22,23-diide Openeye Name: zinc 10-(2-chloro-1,1,2,2-tetrafluoro-ethyl)-2-ethynyl-5,15-diphenyl-porphyrin-22,23-diide CAS Name: zinc 10-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-ethynyl-5,15-diphenylporphyrin-22,23-diide IUPAC Name: zinc 10-(2-chloro-1,1,2,2-tetrafluoroethyl)-2-ethynyl-5,15-diphenylporphyrin-22,23-diide Traditional Name: zinc 10-(2-chloro-1,1,2,2-tetrafluoro-ethyl)-2-ethynyl-5,15-diphenyl-porphine-22,23-diide Formula: C36H19ClF4N4Zn MolecularWeight: 684.418473

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=C(C3=CC=C([N-]3)C(=C4C=CC(=C(C5=NC(=CC1=N2)C=C5)C6=CC=CC=C6)[N-]4)C(C(F)(F)Cl)(F)F)C7=CC=CC=C7.[Zn+2]

Isomeric SMILES

C#CC1=CC2=C(C3=CC=C([N-]3)C(=C4C=CC(=C(C5=NC(=CC1=N2)C=C5)C6=CC=CC=C6)[N-]4)C(C(F)(F)Cl)(F)F)C7=CC=CC=C7.[Zn+2]

InChI

InChI=1S/C36H19ClF4N4.Zn/c1-2-21-19-31-33(23-11-7-4-8-12-23)27-16-18-29(44-27)34(35(38,39)36(37,40)41)28-17-15-26(43-28)32(22-9-5-3-6-10-22)25-14-13-24(42-25)20-30(21)45-31;/h1,3-20H;/q-2;+2