zinc; 1H-imidazole; 5,10,15,20-tetratert-butyl-15-methoxy-5H-porphyrin-22,24-diide

Systemtic Name: zinc; 1H-imidazole; 5,10,15,20-tetratert-butyl-15-methoxy-5H-porphyrin-22,24-diide Openeye Name: zinc; imidazole; 5,10,15,20-tetratert-butyl-15-methoxy-5H-porphyrin-22,24-diide CAS Name: zinc; 1H-imidazole; 5,10,15,20-tetratert-butyl-15-methoxy-5H-porphyrin-22,24-diide IUPAC Name: zinc; 1H-imidazole; 5,10,15,20-tetratert-butyl-15-methoxy-5H-porphyrin-22,24-diide Traditional Name: zinc; glyoxaline; 5,10,15,20-tetratert-butyl-15-methoxy-5H-porphine-22,24-diide Formula: C40H52N6OZn MolecularWeight: 698.28948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C2=NC(=C(C3=CC=C([N-]3)C(C4=NC(=C(C5=CC=C1[N-]5)C(C)(C)C)C=C4)(C(C)(C)C)OC)C(C)(C)C)C=C2.C1=CN=CN1.[Zn+2]

Isomeric SMILES

CC(C)(C)C1C2=NC(=C(C3=CC=C([N-]3)C(C4=NC(=C(C5=CC=C1[N-]5)C(C)(C)C)C=C4)(C(C)(C)C)OC)C(C)(C)C)C=C2.C1=CN=CN1.[Zn+2]

InChI

InChI=1S/C37H48N4O.C3H4N2.Zn/c1-33(2,3)30-22-14-16-24(38-22)31(34(4,5)6)26-18-20-28(40-26)37(42-13,36(10,11)12)29-21-19-27(41-29)32(35(7,8)9)25-17-15-23(30)39-25;1-2-5-3-4-1;/h14-21,30H,1-13H3;1-3H,(H,4,5);/q-2;;+2