5,15-bis(3-nitrophenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5,15-bis(3-nitrophenoxy)-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5,15-bis(3-nitrophenoxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5,15-bis(3-nitrophenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5,15-bis(3-nitrophenoxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5,15-bis(3-nitrophenoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C44H26N6NiO6 MolecularWeight: 793.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)OC7=CC=CC(=C7)[N+](=O)[O-])C8=CC=CC=C8)OC9=CC=CC(=C9)[N+](=O)[O-])[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)OC7=CC=CC(=C7)[N+](=O)[O-])C8=CC=CC=C8)OC9=CC=CC(=C9)[N+](=O)[O-])[N-]3.[Ni+2]

InChI

InChI=1S/C44H26N6O6.Ni/c51-49(52)29-13-7-15-31(25-29)55-43-37-21-17-33(45-37)41(27-9-3-1-4-10-27)34-18-22-38(46-34)44(56-32-16-8-14-30(26-32)50(53)54)40-24-20-36(48-40)42(28-11-5-2-6-12-28)35-19-23-39(43)47-35;/h1-26H;/q-2;+2