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nickel(2+); 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphyrin-21,22-diide

nickel(2+); 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphyrin-21,22-diide

Systemtic Name:nickel(2+); 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphyrin-21,22-diide
Openeye Name:nickelous 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphyrin-21,22-diide
CAS Name:nickel(2+); 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphyrin-21,22-diide
IUPAC Name:nickel(2+); 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphyrin-21,22-diide
Traditional Name:nickelous 5,10,15,20-tetraphenyl-2,3-bis(trifluoromethyl)porphine-21,22-diide
Formula: C46H26F6N4Ni
MolecularWeight: 807.409259
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C(C(=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(F)(F)F)C(F)(F)F)C9=CC=CC=C9)[N-]3.[Ni+2]


Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=C(C(=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(F)(F)F)C(F)(F)F)C9=CC=CC=C9)[N-]3.[Ni+2]


InChI

InChI=1S/C46H26F6N4.Ni/c47-45(48,49)41-42(46(50,51)52)44-40(30-19-11-4-12-20-30)36-26-24-34(55-36)38(28-15-7-2-8-16-28)32-22-21-31(53-32)37(27-13-5-1-6-14-27)33-23-25-35(54-33)39(43(41)56-44)29-17-9-3-10-18-29;/h1-26H;/q-2;+2


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