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zinc 2-ethynyl-5,15-diphenyl-10-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]porphyrin-22,23-diide

zinc 2-ethynyl-5,15-diphenyl-10-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]porphyrin-22,23-diide

Systemtic Name:zinc 2-ethynyl-5,15-diphenyl-10-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]porphyrin-22,23-diide
Openeye Name:zinc 2-ethynyl-5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)porphyrin-22,23-diide
CAS Name:zinc 2-ethynyl-5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)porphyrin-22,23-diide
IUPAC Name:zinc 2-ethynyl-5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)porphyrin-22,23-diide
Traditional Name:zinc 2-ethynyl-5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)porphine-22,23-diide
Formula: C40H19F13N4Zn
MolecularWeight: 867.993902
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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(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(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(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C7=CC=CC=C7.[Zn+2]


InChI

InChI=1S/C40H19F13N4.Zn/c1-2-21-19-31-33(23-11-7-4-8-12-23)27-16-18-29(56-27)34(35(41,42)36(43,44)37(45,46)38(47,48)39(49,50)40(51,52)53)28-17-15-26(55-28)32(22-9-5-3-6-10-22)25-14-13-24(54-25)20-30(21)57-31;/h1,3-20H;/q-2;+2


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