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

Systemtic Name: zinc 5-(2,5-ditert-butyl-3,4-dimethoxy-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide Openeye Name: zinc 5-(2,5-ditert-butyl-3,4-dimethoxy-phenyl)-10,15,20-triphenyl-porphyrin-21,22-diide CAS Name: zinc 5-(2,5-ditert-butyl-3,4-dimethoxyphenyl)-10,15,20-triphenylporphyrin-21,22-diide IUPAC Name: zinc 5-(2,5-ditert-butyl-3,4-dimethoxyphenyl)-10,15,20-triphenylporphyrin-21,22-diide Traditional Name: zinc 5-(2,5-ditert-butyl-3,4-dimethoxy-phenyl)-10,15,20-triphenyl-porphine-21,22-diide Formula: C54H48N4O2Zn MolecularWeight: 850.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=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)C(C)(C)C)OC)OC.[Zn+2]

Isomeric SMILES

CC(C)(C)C1=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)C(C)(C)C)OC)OC.[Zn+2]

InChI

InChI=1S/C54H48N4O2.Zn/c1-53(2,3)37-32-36(50(54(4,5)6)52(60-8)51(37)59-7)49-44-30-28-42(57-44)47(34-20-14-10-15-21-34)40-26-24-38(55-40)46(33-18-12-9-13-19-33)39-25-27-41(56-39)48(35-22-16-11-17-23-35)43-29-31-45(49)58-43;/h9-32H,1-8H3;/q-2;+2