nickel(2+); 10,15,20-triphenyl-21H-porphyrin-23-id-5-olate

Systemtic Name: nickel(2+); 10,15,20-triphenyl-21H-porphyrin-23-id-5-olate Openeye Name: nickelous 10,15,20-triphenyl-21H-porphyrin-23-id-5-olate CAS Name: nickel(2+); 10,15,20-triphenyl-21H-porphyrin-23-id-5-olate IUPAC Name: nickel(2+); 10,15,20-triphenyl-21H-porphyrin-23-id-5-olate Traditional Name: nickelous 10,15,20-triphenyl-21H-porphin-23-id-5-olate Formula: C38H24N4NiO MolecularWeight: 611.31676

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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(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)[O-])C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)[O-])C=C4)C8=CC=CC=C8)[N-]3.[Ni+2]

InChI

InChI=1S/C38H25N4O.Ni/c43-38-33-22-20-31(41-33)36(25-12-6-2-7-13-25)29-18-16-27(39-29)35(24-10-4-1-5-11-24)28-17-19-30(40-28)37(26-14-8-3-9-15-26)32-21-23-34(38)42-32;/h1-23H,(H2-,39,40,41,42,43);/q-1;+2/p-1