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

Systemtic Name: zinc 5-[4-(methoxymethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-[4-(methoxymethyl)phenyl]-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-[4-(methoxymethyl)phenyl]-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-[4-(methoxymethyl)phenyl]-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-[4-(methoxymethyl)phenyl]-10,15,20-triphenyl-porphine-22,24-diide Formula: C46H32N4OZn MolecularWeight: 722.18148

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=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

COCC1=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/C46H32N4O.Zn/c1-51-29-30-17-19-34(20-18-30)46-41-27-25-39(49-41)44(32-13-7-3-8-14-32)37-23-21-35(47-37)43(31-11-5-2-6-12-31)36-22-24-38(48-36)45(33-15-9-4-10-16-33)40-26-28-42(46)50-40;/h2-28H,29H2,1H3;/q-2;+2