nickel(2+); 5,10,15,20-tetraphenylporphyrin-21,23-diide-2,7-dicarbaldehyde

Systemtic Name: nickel(2+); 5,10,15,20-tetraphenylporphyrin-21,23-diide-2,7-dicarbaldehyde Openeye Name: nickelous 5,10,15,20-tetraphenylporphyrin-21,23-diide-2,7-dicarbaldehyde CAS Name: nickel(2+); 5,10,15,20-tetraphenylporphyrin-21,23-diide-2,7-dicarboxaldehyde IUPAC Name: nickel(2+); 5,10,15,20-tetraphenylporphyrin-21,23-diide-2,7-dicarbaldehyde Traditional Name: nickelous 5,10,15,20-tetraphenylporphine-21,23-diide-2,7-dicarbaldehyde Formula: C46H28N4NiO2 MolecularWeight: 727.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H29N4O2.Ni/c51-27-33-25-39-42(30-15-7-2-8-16-30)37-22-21-35(47-37)41(29-13-5-1-6-14-29)36-23-24-38(48-36)43(31-17-9-3-10-18-31)45-34(28-52)26-40(50-45)44(46(33)49-39)32-19-11-4-12-20-32;/h1-28H,(H-,47,48,49,50,51,52);/q-1;+2/p-1