![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/41636-35-5.gif)
Synonyms
Carbon monoxide;2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;ruthenium(2+)
IUPAC Name
carbon monoxide;2,3,7,8,12,13,17,18-octaethyl-1,4,5,10,11,14,15,20,21,23-decahydroporphyrin-22,24-diide;ruthenium(2+);
Molecular Weight
661.8
Molecular Formula
C37H44N4ORu
Canonical SMILES
CCC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)CC)CC)CC)CC)C(=C3CC)CC)CC.[C-]#[O+].[Ru+2]
InChI
InChI=1S/C36H44N4.CO.Ru/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;/h17-20H,9-16H2,1-8H3;/q-2;+2
InChI Key
CRTFSNIGJRIMPF-UHFFFAOYSA-N
Complexity
797
Covalently-Bonded Unit Count
3
Exact Mass
662.255852
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
43
Monoisotopic Mass
662.255852
Rotatable Bond Count
8
Topological Polar Surface Area
27.7 Ų
Undefined Atom Stereocenter Count
4
