nickel(2+); 5,10,15,20-tetramethylporphyrin-22,23-diide

Systemtic Name: nickel(2+); 5,10,15,20-tetramethylporphyrin-22,23-diide Openeye Name: nickelous 5,10,15,20-tetramethylporphyrin-22,23-diide CAS Name: nickel(2+); 5,10,15,20-tetramethylporphyrin-22,23-diide IUPAC Name: nickel(2+); 5,10,15,20-tetramethylporphyrin-22,23-diide Traditional Name: nickelous 5,10,15,20-tetramethylporphine-22,23-diide Formula: C24H20N4Ni MolecularWeight: 423.1358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C)C)C)[N-]2.[Ni+2]

Isomeric SMILES

CC1=C2C=CC(=C(C3=CC=C([N-]3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C)C)C)[N-]2.[Ni+2]

InChI

InChI=1S/C24H20N4.Ni/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20;/h5-12H,1-4H3;/q-2;+2