zinc 5-bromanyl-10,20-diphenyl-15-(trifluoromethyl)porphyrin-22,24-diide

Systemtic Name: zinc 5-bromanyl-10,20-diphenyl-15-(trifluoromethyl)porphyrin-22,24-diide Openeye Name: zinc 5-bromo-10,20-diphenyl-15-(trifluoromethyl)porphyrin-22,24-diide CAS Name: zinc 5-bromo-10,20-diphenyl-15-(trifluoromethyl)porphyrin-22,24-diide IUPAC Name: zinc 5-bromo-10,20-diphenyl-15-(trifluoromethyl)porphyrin-22,24-diide Traditional Name: zinc 5-bromo-10,20-diphenyl-15-(trifluoromethyl)porphine-22,24-diide Formula: C33H18BrF3N4Zn MolecularWeight: 672.83103

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)C=C4)C(F)(F)F)[N-]3.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)Br)C7=CC=CC=C7)C=C4)C(F)(F)F)[N-]3.[Zn+2]

InChI

InChI=1S/C33H18BrF3N4.Zn/c34-32-27-17-13-23(40-27)29(19-7-3-1-4-8-19)21-11-15-25(38-21)31(33(35,36)37)26-16-12-22(39-26)30(20-9-5-2-6-10-20)24-14-18-28(32)41-24;/h1-18H;/q-2;+2