carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,23-diide

Systemtic Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,23-diide Openeye Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,23-diide CAS Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,23-diide IUPAC Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,23-diide Traditional Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(4-chlorophenyl)porphine-22,23-diide Formula: C45H24Cl4N4ORu MolecularWeight: 879.58026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Ru+2]

Isomeric SMILES

[C-]#[O+].C1=CC(=CC=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)[N-]3)Cl.[Ru+2]

InChI

InChI=1S/C44H24Cl4N4.CO.Ru/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;1-2;/h1-24H;;/q-2;;+2