zinc; bis(chloranyl)platinum; methylsulfinylmethane; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-porphyrin-22,24-diide

Systemtic Name: zinc; bis(chloranyl)platinum; methylsulfinylmethane; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-porphyrin-22,24-diide Openeye Name: zinc; dichloroplatinum; methylsulfinylmethane; 5,10,15-tris(p-tolyl)-20-(4-pyridyl)porphyrin-22,24-diide CAS Name: zinc; dichloroplatinum; methylsulfinylmethane; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-ylporphyrin-22,24-diide IUPAC Name: zinc; dichloroplatinum; methylsulfinylmethane; 5,10,15-tris(4-methylphenyl)-20-pyridin-4-ylporphyrin-22,24-diide Traditional Name: zinc; dichloroplatinum; methylsulfinylmethane; 5,10,15-tris(p-tolyl)-20-(4-pyridyl)porphine-22,24-diide Formula: C48H39Cl2N5OPtSZn MolecularWeight: 1065.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=NC=C8)C=C4)C9=CC=C(C=C9)C)[N-]3.CS(=O)C.Cl[Pt]Cl.[Zn+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=NC=C8)C=C4)C9=CC=C(C=C9)C)[N-]3.CS(=O)C.Cl[Pt]Cl.[Zn+2]

InChI

InChI=1S/C46H33N5.C2H6OS.2ClH.Pt.Zn/c1-28-4-10-31(11-5-28)43-35-16-18-37(48-35)44(32-12-6-29(2)7-13-32)39-20-22-41(50-39)46(34-24-26-47-27-25-34)42-23-21-40(51-42)45(38-19-17-36(43)49-38)33-14-8-30(3)9-15-33;1-4(2)3;;;;/h4-27H,1-3H3;1-2H3;2*1H;;/q-2;;;;2*+2/p-2