iron(3+); 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; pyridine; tris(chloranyl)methane; cyanide

Systemtic Name: iron(3+); 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; pyridine; tris(chloranyl)methane; cyanide Openeye Name: ferric; chloroform; 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; pyridine; cyanide CAS Name: chloroform; iron(3+); 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; pyridine; cyanide IUPAC Name: chloroform; iron(3+); 2,3,7,8,12,13,17,18-octaethylporphyrin-21,22-diide; pyridine; cyanide Traditional Name: ferric; chloroform; 2,3,7,8,12,13,17,18-octaethylporphine-21,22-diide; pyridine; cyanide Formula: C43H50Cl3FeN6 MolecularWeight: 813.1013

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.[C-]#N.C1=CC=NC=C1.C(Cl)(Cl)Cl.[Fe+3]

Isomeric SMILES

CCC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C([N-]5)C=C1[N-]2)CC)CC)C(=C4CC)CC)C(=C3CC)CC)CC.[C-]#N.C1=CC=NC=C1.C(Cl)(Cl)Cl.[Fe+3]

InChI

InChI=1S/C36H44N4.C5H5N.CHCl3.CN.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2-4-6-5-3-1;2-1(3)4;1-2;/h17-20H,9-16H2,1-8H3;1-5H;1H;;/q-2;;;-1;+3