3,3-dimethoxy-5,10,15,20-tetraphenyl-porphyrin-24-id-2-olate; nickel(2+)

Systemtic Name: 3,3-dimethoxy-5,10,15,20-tetraphenyl-porphyrin-24-id-2-olate; nickel(2+) Openeye Name: nickelous 3,3-dimethoxy-5,10,15,20-tetraphenyl-porphyrin-24-id-2-olate CAS Name: 3,3-dimethoxy-5,10,15,20-tetraphenyl-2-porphyrin-24-idolate; nickel(2+) IUPAC Name: 3,3-dimethoxy-5,10,15,20-tetraphenylporphyrin-24-id-2-olate; nickel(2+) Traditional Name: nickelous 3,3-dimethoxy-5,10,15,20-tetraphenyl-porphin-24-id-2-olate Formula: C46H32N4NiO3 MolecularWeight: 747.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C=C4)C8=CC=CC=C8)[N-]3)C9=CC=CC=C9)[O-])OC.[Ni+2]

Isomeric SMILES

COC1(C(=C2C(=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C1=N2)C6=CC=CC=C6)C=C5)C7=CC=CC=C7)C=C4)C8=CC=CC=C8)[N-]3)C9=CC=CC=C9)[O-])OC.[Ni+2]

InChI

InChI=1S/C46H33N4O3.Ni/c1-52-46(53-2)44-42(32-21-13-6-14-22-32)38-28-26-36(49-38)40(30-17-9-4-10-18-30)34-24-23-33(47-34)39(29-15-7-3-8-16-29)35-25-27-37(48-35)41(43(50-44)45(46)51)31-19-11-5-12-20-31;/h3-28H,1-2H3,(H-,47,48,49,50,51);/q-1;+2/p-1