carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(2,6-dimethylphenyl)porphyrin-22,23-diide

Systemtic Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(2,6-dimethylphenyl)porphyrin-22,23-diide Openeye Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(2,6-dimethylphenyl)porphyrin-22,23-diide CAS Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(2,6-dimethylphenyl)porphyrin-22,23-diide IUPAC Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(2,6-dimethylphenyl)porphyrin-22,23-diide Traditional Name: carbon monoxide; ruthenium(2+); 5,10,15,20-tetrakis(2,6-dimethylphenyl)porphine-22,23-diide Formula: C53H44N4ORu MolecularWeight: 854.01266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7C)C)C8=C(C=CC=C8C)C)C9=C(C=CC=C9C)C)[N-]3.[C-]#[O+].[Ru+2]

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7C)C)C8=C(C=CC=C8C)C)C9=C(C=CC=C9C)C)[N-]3.[C-]#[O+].[Ru+2]

InChI

InChI=1S/C52H44N4.CO.Ru/c1-29-13-9-14-30(2)45(29)49-37-21-23-39(53-37)50(46-31(3)15-10-16-32(46)4)41-25-27-43(55-41)52(48-35(7)19-12-20-36(48)8)44-28-26-42(56-44)51(40-24-22-38(49)54-40)47-33(5)17-11-18-34(47)6;1-2;/h9-28H,1-8H3;;/q-2;;+2