nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5,15-diphenyl-porphyrin-22,24-diide

Systemtic Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5,15-diphenyl-porphyrin-22,24-diide Openeye Name: nickelous 2,3,7,8,12,13,17,18-octaethyl-5,15-diphenyl-porphyrin-22,24-diide CAS Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5,15-diphenylporphyrin-22,24-diide IUPAC Name: nickel(2+); 2,3,7,8,12,13,17,18-octaethyl-5,15-diphenylporphyrin-22,24-diide Traditional Name: nickelous 2,3,7,8,12,13,17,18-octaethyl-5,15-diphenyl-porphine-22,24-diide Formula: C48H52N4Ni MolecularWeight: 743.64668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C([N-]4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)C6=CC=CC=C6)CC)CC)C(=C3CC)CC)C7=CC=CC=C7)CC.[Ni+2]

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=CC4=C(C(=C([N-]4)C(=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)C6=CC=CC=C6)CC)CC)C(=C3CC)CC)C7=CC=CC=C7)CC.[Ni+2]

InChI

InChI=1S/C48H52N4.Ni/c1-9-31-35(13-5)45-43(29-23-19-17-20-24-29)46-37(15-7)33(11-3)41(51-46)28-42-34(12-4)38(16-8)48(52-42)44(30-25-21-18-22-26-30)47-36(14-6)32(10-2)40(50-47)27-39(31)49-45;/h17-28H,9-16H2,1-8H3;/q-2;+2