nickel(2+); (Z)-[(13Z)-5,5,10,10,15,15,20,20-octaethyl-13-[oxidanidyl(phenyl)methylidene]-7,17-dihydroporphyrin-2-ylidene]-phenyl-methanolate

Systemtic Name: nickel(2+); (Z)-[(13Z)-5,5,10,10,15,15,20,20-octaethyl-13-[oxidanidyl(phenyl)methylidene]-7,17-dihydroporphyrin-2-ylidene]-phenyl-methanolate Openeye Name: nickelous (Z)-[(13Z)-5,5,10,10,15,15,20,20-octaethyl-13-[oxido(phenyl)methylene]-7,17-dihydroporphyrin-2-ylidene]-phenyl-methanolate CAS Name: nickel(2+); (Z)-[(13Z)-5,5,10,10,15,15,20,20-octaethyl-13-[oxido(phenyl)methylidene]-7,17-dihydroporphyrin-2-ylidene]-phenylmethanolate IUPAC Name: nickel(2+); (Z)-[(13Z)-5,5,10,10,15,15,20,20-octaethyl-13-[oxido(phenyl)methylidene]-7,17-dihydroporphyrin-2-ylidene]-phenylmethanolate Traditional Name: nickelous (Z)-[(13Z)-5,5,10,10,15,15,20,20-octaethyl-13-[oxido(phenyl)methylene]-7,17-dihydroporphin-2-ylidene]-phenyl-methanolate Formula: C50H58N4NiO2 MolecularWeight: 805.71452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=NC(=CC2)C(C3=CC(=C(C4=CC=CC=C4)[O-])C(=N3)C(C5=NC(=CC5)C(C6=NC1=CC6=C(C7=CC=CC=C7)[O-])(CC)CC)(CC)CC)(CC)CC)CC.[Ni+2]

Isomeric SMILES

CCC1(C2=NC(=CC2)C(C3=C/C(=C(\C4=CC=CC=C4)/[O-])/C(=N3)C(C5=NC(=CC5)C(C\6=NC1=C/C6=C(\C7=CC=CC=C7)/[O-])(CC)CC)(CC)CC)(CC)CC)CC.[Ni+2]

InChI

InChI=1S/C50H60N4O2.Ni/c1-9-47(10-2)37-27-28-38(51-37)48(11-3,12-4)42-32-36(44(56)34-25-21-18-22-26-34)46(54-42)50(15-7,16-8)40-30-29-39(52-40)49(13-5,14-6)45-35(31-41(47)53-45)43(55)33-23-19-17-20-24-33;/h17-27,30-32,55-56H,9-16,28-29H2,1-8H3;/q;+2/p-2/b43-35-,44-36-;