zinc 5,15-bis(4-methylphenyl)-10-phenyl-20-tridecan-7-yl-porphyrin-22,24-diide

Systemtic Name: zinc 5,15-bis(4-methylphenyl)-10-phenyl-20-tridecan-7-yl-porphyrin-22,24-diide Openeye Name: zinc 5-(1-hexylheptyl)-15-phenyl-10,20-bis(p-tolyl)porphyrin-22,24-diide CAS Name: zinc 5,15-bis(4-methylphenyl)-10-phenyl-20-tridecan-7-ylporphyrin-22,24-diide IUPAC Name: zinc 5,15-bis(4-methylphenyl)-10-phenyl-20-tridecan-7-ylporphyrin-22,24-diide Traditional Name: zinc 5-(1-hexylheptyl)-15-phenyl-10,20-bis(p-tolyl)porphine-22,24-diide Formula: C53H54N4Zn MolecularWeight: 812.43166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=C(C=C6)C)C=C4)C7=CC=CC=C7)[N-]3)C8=CC=C(C=C8)C.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=N2)C(=C3C=CC(=C(C4=NC(=C(C5=CC=C1[N-]5)C6=CC=C(C=C6)C)C=C4)C7=CC=CC=C7)[N-]3)C8=CC=C(C=C8)C.[Zn+2]

InChI

InChI=1S/C53H54N4.Zn/c1-5-7-9-12-16-38(17-13-10-8-6-2)50-42-28-32-46(54-42)52(40-24-20-36(3)21-25-40)48-34-30-44(56-48)51(39-18-14-11-15-19-39)45-31-35-49(57-45)53(47-33-29-43(50)55-47)41-26-22-37(4)23-27-41;/h11,14-15,18-35,38H,5-10,12-13,16-17H2,1-4H3;/q-2;+2