nickel(2+); 5,10,15,20-tetrakis(4-ethoxyphenyl)porphyrin-22,23-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetrakis(4-ethoxyphenyl)porphyrin-22,23-diide Openeye Name: nickelous 5,10,15,20-tetrakis(4-ethoxyphenyl)porphyrin-22,23-diide CAS Name: nickel(2+); 5,10,15,20-tetrakis(4-ethoxyphenyl)porphyrin-22,23-diide IUPAC Name: nickel(2+); 5,10,15,20-tetrakis(4-ethoxyphenyl)porphyrin-22,23-diide Traditional Name: nickelous 5,10,15,20-tetrakis(p-phenetyl)porphine-22,23-diide Formula: C52H44N4NiO4 MolecularWeight: 847.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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)OCC)C8=CC=C(C=C8)OCC)C9=CC=C(C=C9)OCC)[N-]3.[Ni+2]

Isomeric SMILES

CCOC1=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)OCC)C8=CC=C(C=C8)OCC)C9=CC=C(C=C9)OCC)[N-]3.[Ni+2]

InChI

InChI=1S/C52H44N4O4.Ni/c1-5-57-37-17-9-33(10-18-37)49-41-25-27-43(53-41)50(34-11-19-38(20-12-34)58-6-2)45-29-31-47(55-45)52(36-15-23-40(24-16-36)60-8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)35-13-21-39(22-14-35)59-7-3;/h9-32H,5-8H2,1-4H3;/q-2;+2