Synonyms
MFCD04973055;821793-33-3;821793-35-5;Chloro[(R)-(+)-5,5'-di-Cl-6,6'-dimethoxy-2,2'-bis(diphenyl-phosphino)-1,1'-biphenyl](p-cymene)ruthenium(II)chloride CH2Cl2 adduct;Chloro[(S)-(-)-5,5'-dichloro-6,6'-dimethoxy-2,2'-bis(diphenylphosphino)-1,1'-biphenyl](p-cymene)Ru(II) chloride CH2Cl2 adduct;
IUPAC Name
[4-chloro-2-(3-chloro-6-diphenylphosphanyl-2-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;dichloromethane;dichlororuthenium;1-methyl-4-propan-2-ylbenzene;
Molecular Weight
1042.623g/mol
Molecular Formula
C49H46Cl6O2P2Ru;
Canonical SMILES
CC1=CC=C(C=C1)C(C)C.COC1=C(C=CC(=C1C2=C(C=CC(=C2OC)Cl)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6)Cl.C(Cl)Cl.Cl[Ru]Cl;
InChI
InChI=1S/C38H30Cl2O2P2.C10H14.CH2Cl2.2ClH.Ru/c1-41-37-31(39)23-25-33(43(27-15-7-3-8-16-27)28-17-9-4-10-18-28)35(37)36-34(26-24-32(40)38(36)42-2)44(29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-8(2)10-6-4-9(3)5-7-10;2-1-3;;;/h3-26H,1-2H3;4-8H,1-3H3;1H2;2*1H;/q;;;;;+2/p-2;
InChI Key
PLMJZRLEUNXRKG-UHFFFAOYSA-L;
Complexity
826
Covalently-Bonded Unit Count
4
Exact Mass
1042.012g/mol
H-Bond Acceptor
2
Heavy Atom Count
60
Monoisotopic Mass
1040.015g/mol
Rotatable Bond Count
10
Topological Polar Surface Area
18.5A^2
