nickel(2+); 5,10,15-tributylporphyrin-22,24-diide

Systemtic Name: nickel(2+); 5,10,15-tributylporphyrin-22,24-diide Openeye Name: nickelous 5,10,15-tributylporphyrin-22,24-diide CAS Name: nickel(2+); 5,10,15-tributylporphyrin-22,24-diide IUPAC Name: nickel(2+); 5,10,15-tributylporphyrin-22,24-diide Traditional Name: nickelous 5,10,15-tributylporphine-22,24-diide Formula: C32H36N4Ni MolecularWeight: 535.34844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)CCCC)CCCC)C=C3)[N-]2.[Ni+2]

Isomeric SMILES

CCCCC1=C2C=CC(=CC3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC1=N5)CCCC)CCCC)C=C3)[N-]2.[Ni+2]

InChI

InChI=1S/C32H36N4.Ni/c1-4-7-10-24-27-15-13-22(33-27)21-23-14-16-28(34-23)25(11-8-5-2)30-18-20-32(36-30)26(12-9-6-3)31-19-17-29(24)35-31;/h13-21H,4-12H2,1-3H3;/q-2;+2