Synonyms
677736-23-1;DTXSID60746179;Chlororuthenium(1+) 1,2,3,4,5-pentaphenylcyclopenta-2,4-dien-1-ide--carbon monooxide (1/1/2);Dicarbonylchloro[(1,2,3,4,5,-|C)-1,2,3,4,5-pentaphenylcyclo-2,4-pentadien-1-yl)]ruthenium;
IUPAC Name
carbon monoxide;chlororuthenium(1+);(2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene;
Molecular Weight
638.125g/mol
Molecular Formula
C37H25ClO2Ru;
Canonical SMILES
[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.Cl[Ru+];
InChI
InChI=1S/C35H25.2CO.ClH.Ru/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;2*1-2;;/h1-25H;;;1H;/q-1;;;;+2/p-1;
InChI Key
LXISPGKMYRYJGQ-UHFFFAOYSA-M;
Complexity
480
Covalently-Bonded Unit Count
4
Exact Mass
638.059g/mol
H-Bond Acceptor
3
Heavy Atom Count
41
Monoisotopic Mass
638.059g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
2A^2
