zinc 5-(3,4-dimethoxyphenyl)-10,15,20-triphenyl-porphyrin-22,24-diide

Systemtic Name: zinc 5-(3,4-dimethoxyphenyl)-10,15,20-triphenyl-porphyrin-22,24-diide Openeye Name: zinc 5-(3,4-dimethoxyphenyl)-10,15,20-triphenyl-porphyrin-22,24-diide CAS Name: zinc 5-(3,4-dimethoxyphenyl)-10,15,20-triphenylporphyrin-22,24-diide IUPAC Name: zinc 5-(3,4-dimethoxyphenyl)-10,15,20-triphenylporphyrin-22,24-diide Traditional Name: zinc 5-(3,4-dimethoxyphenyl)-10,15,20-triphenyl-porphine-22,24-diide Formula: C46H32N4O2Zn MolecularWeight: 738.18088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=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)OC.[Zn+2]

Isomeric SMILES

COC1=C(C=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)OC.[Zn+2]

InChI

InChI=1S/C46H32N4O2.Zn/c1-51-41-27-18-32(28-42(41)52-2)46-39-25-23-37(49-39)44(30-14-8-4-9-15-30)35-21-19-33(47-35)43(29-12-6-3-7-13-29)34-20-22-36(48-34)45(31-16-10-5-11-17-31)38-24-26-40(46)50-38;/h3-28H,1-2H3;/q-2;+2