zinc; (dimethyl-$l^{4}-sulfanylidene)oxidanium; platinum(2+); 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium

Systemtic Name: zinc; (dimethyl-$l^{4}-sulfanylidene)oxidanium; platinum(2+); 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium Openeye Name: zinc; (dimethyl-$l^{4}-sulfanylidene)oxonium; platinum(2+); 5,10,15-tris(p-tolyl)-20-(4-pyridyl)-21,23-dihydroporphyrin-21,23-diium CAS Name: zinc; (dimethyl-$l^{4}-sulfanylidene)oxonium; platinum(2+); 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium IUPAC Name: zinc; (dimethyl-$l^{4}-sulfanylidene)oxidanium; platinum(2+); 5,10,15-tris(4-methylphenyl)-20-pyridin-4-yl-21,23-dihydroporphyrin-21,23-diium Traditional Name: zinc; dimethylsulfuranylideneoxonium; platinum(2+); 5,10,15-tris(p-tolyl)-20-(4-pyridyl)-21,23-dihydroporphine-21,23-diium Formula: C48H44N5OPtSZn+7 MolecularWeight: 999.44786

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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([NH2+]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=NC=C8)C=C4)C9=CC=C(C=C9)C)[NH2+]3.CS(=[OH+])C.[Zn+2].[Pt+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([NH2+]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=NC=C8)C=C4)C9=CC=C(C=C9)C)[NH2+]3.CS(=[OH+])C.[Zn+2].[Pt+2]

InChI

InChI=1S/C46H35N5.C2H6OS.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;;/h4-27,48,51H,1-3H3;1-2H3;;/q;;2*+2/p+3