zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-[4-(ethoxymethyl)phenyl]-10,15,20-triphenyl-porphine-22,24-diide Formula: C47H34N4OZn MolecularWeight: 736.20806

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Zn+2]

Isomeric SMILES

CCOCC1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)[N-]4)C9=CC=CC=C9.[Zn+2]

InChI

InChI=1S/C47H34N4O.Zn/c1-2-52-30-31-18-20-35(21-19-31)47-42-28-26-40(50-42)45(33-14-8-4-9-15-33)38-24-22-36(48-38)44(32-12-6-3-7-13-32)37-23-25-39(49-37)46(34-16-10-5-11-17-34)41-27-29-43(47)51-41;/h3-29H,2,30H2,1H3;/q-2;+2