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zinc 5-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-15-ethynyl-10,20-diphenyl-porphyrin-23,24-diide

zinc 5-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-15-ethynyl-10,20-diphenyl-porphyrin-23,24-diide

Systemtic Name:zinc 5-[2-chloranyl-1,1,2,2-tetrakis(fluoranyl)ethyl]-15-ethynyl-10,20-diphenyl-porphyrin-23,24-diide
Openeye Name:zinc 5-(2-chloro-1,1,2,2-tetrafluoro-ethyl)-15-ethynyl-10,20-diphenyl-porphyrin-23,24-diide
CAS Name:zinc 5-(2-chloro-1,1,2,2-tetrafluoroethyl)-15-ethynyl-10,20-diphenylporphyrin-23,24-diide
IUPAC Name:zinc 5-(2-chloro-1,1,2,2-tetrafluoroethyl)-15-ethynyl-10,20-diphenylporphyrin-23,24-diide
Traditional Name:zinc 5-(2-chloro-1,1,2,2-tetrafluoro-ethyl)-15-ethynyl-10,20-diphenyl-porphine-23,24-diide
Formula: C36H19ClF4N4Zn
MolecularWeight: 684.418473
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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C(C(F)(F)Cl)(F)F)C=C3)C7=CC=CC=C7)[N-]2.[Zn+2]


Isomeric SMILES

C#CC1=C2C=CC(=C(C3=NC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=CC=C6)C=C4)C(C(F)(F)Cl)(F)F)C=C3)C7=CC=CC=C7)[N-]2.[Zn+2]


InChI

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


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