zinc 5-(2,3-dimethoxy-4-methyl-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide

Systemtic Name: zinc 5-(2,3-dimethoxy-4-methyl-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-(2,3-dimethoxy-4-methyl-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-(2,3-dimethoxy-4-methylphenyl)-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-(2,3-dimethoxy-4-methylphenyl)-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-(2,3-dimethoxy-4-methyl-phenyl)-10,15,20-triphenyl-porphine-21,22-diide Formula: C47H34N4O2Zn MolecularWeight: 752.20746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)OC)OC.[Zn+2]

Isomeric SMILES

CC1=C(C(=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2[N-]6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3)OC)OC.[Zn+2]

InChI

InChI=1S/C47H34N4O2.Zn/c1-29-19-20-33(47(53-3)46(29)52-2)45-40-27-25-38(50-40)43(31-15-9-5-10-16-31)36-23-21-34(48-36)42(30-13-7-4-8-14-30)35-22-24-37(49-35)44(32-17-11-6-12-18-32)39-26-28-41(45)51-39;/h4-28H,1-3H3;/q-2;+2