nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide Openeye Name: nickelous 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide CAS Name: nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide IUPAC Name: nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide Traditional Name: nickelous 5,10,15,20-tetrakis(4-methoxyphenyl)porphine-22,24-diide Formula: C48H36N4NiO4 MolecularWeight: 791.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Ni+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)[N-]3.[Ni+2]

InChI

InChI=1S/C48H36N4O4.Ni/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31;/h5-28H,1-4H3;/q-2;+2