944450-44-6
DICHLORO[(S)-(-)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4.4'-BI-1,3-BENZODIOXOLE][(2S)-(+)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE]RUTHENIUM(II)
NameDICHLORO[(S)-(-)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4.4'-BI-1,3-BENZODIOXOLE][(2S)-(+)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE]RUTHENIUM(II)
pro_formulaC46 H44 O4 P2 . C19 H26 N2 O2 . Cl2 Ru
1Identification
【Name】
DICHLORO[(S)-(-)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4.4'-BI-1,3-BENZODIOXOLE][(2S)-(+)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE]RUTHENIUM(II)
【CAS】
【MDL】
MFCD09753029
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C46 H44 O4 P2 . C19 H26 N2 O2 . Cl2 Ru
【pro_molWeight】
1209.2
【Inchi】
InChI=1S/C46H44O4P2.C19H26N2O2.2ClH.Ru/c1-27-13-28(2)18-35(17-27)51(36-19-29(3)14-30(4)20-36)41-11-9-39-45(49-25-47-39)43(41)44-42(12-10-40-46(44)50-26-48-40)52(37-21-31(5)15-32(6)22-37)38-23-33(7)16-34(8)24-38;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;;/h9-24H,25-26H2,1-8H3;5-13,18H,20-21H2,1-4H3;2*1H;/q;;;;+2/p-2/t;18-;;;/m.0.../s1
【InChIKey】
InChIKey=UDSABKQFPIPYOT-OGLOXHGMSA-L
【SMILES】
Cc1cc(cc(c1)P(c2ccc3c(c2c4c(ccc5c4OCO5)P(c6cc(cc(c6)C)C)c7cc(cc(c7)C)C)OCO3)c8cc(cc(c8)C)C)C.CC(C)[C@@H](C(c1ccc(cc1)OC)(c2ccc(cc2)OC)N)N.Cl[Ru]Cl
【MOL File】
DICHLORO[(S)-(-)-5,5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:14.0
Bulk/Fine:F
3MaterialMSDS
【secure_wgk_germany】
3
4CMLFile
DICHLORO[(S)-(-)-5,5'-BIS[DI(3,5-XYLYL)PHOSPHINO]-4.4'-BI-1,3-BENZODIOXOLE][(2S)-(+)-1,1-BIS(4-METHOXYPHENYL)-3-METHYL-1,2-BUTANEDIAMINE]RUTHENIUM(II).cml