nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-porphyrin-23,24-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-porphyrin-23,24-diide Openeye Name: nickelous 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-porphyrin-23,24-diide CAS Name: nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitroporphyrin-23,24-diide IUPAC Name: nickel(2+); 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitroporphyrin-23,24-diide Traditional Name: nickelous 5,10,15,20-tetrakis(4-methoxyphenyl)-2-nitro-porphine-23,24-diide Formula: C48H35N5NiO6 MolecularWeight: 836.5148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)[N+](=O)[O-])C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)[N-]3.[Ni+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C(=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)[N+](=O)[O-])C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)[N-]3.[Ni+2]

InChI

InChI=1S/C48H35N5O6.Ni/c1-56-32-13-5-28(6-14-32)44-36-21-22-37(49-36)45(29-7-15-33(57-2)16-8-29)39-25-26-41(51-39)47(31-11-19-35(59-4)20-12-31)48-43(53(54)55)27-42(52-48)46(40-24-23-38(44)50-40)30-9-17-34(58-3)18-10-30;/h5-27H,1-4H3;/q-2;+2