zinc 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)porphyrin-22,24-diide

Systemtic Name: zinc 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)porphyrin-22,24-diide Openeye Name: zinc 5,10,15-tris(1-hexylheptyl)-20-(4-iodophenyl)porphyrin-22,24-diide CAS Name: zinc 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)porphyrin-22,24-diide IUPAC Name: zinc 5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)porphyrin-22,24-diide Traditional Name: zinc 5,10,15-tris(1-hexylheptyl)-20-(4-iodophenyl)porphine-22,24-diide Formula: C65H93IN4Zn MolecularWeight: 1122.77419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C=C3)C6=CC=C(C=C6)I)[N-]2.[Zn+2]

Isomeric SMILES

CCCCCCC(CCCCCC)C1=C2C=CC(=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)C(CCCCCC)CCCCCC)C(CCCCCC)CCCCCC)C=C3)C6=CC=C(C=C6)I)[N-]2.[Zn+2]

InChI

InChI=1S/C65H93IN4.Zn/c1-7-13-19-25-31-49(32-26-20-14-8-2)62-54-41-43-56(67-54)63(50(33-27-21-15-9-3)34-28-22-16-10-4)58-45-47-60(69-58)65(52-37-39-53(66)40-38-52)61-48-46-59(70-61)64(57-44-42-55(62)68-57)51(35-29-23-17-11-5)36-30-24-18-12-6;/h37-51H,7-36H2,1-6H3;/q-2;+2