1025476-84-9
DIACETATO[(R)-(-)-5,5'-BIS[DI(3,5-DI-T-BUTYL-4-METHOXYPHENYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE]RUTHENIUM(II)
NameDIACETATO[(R)-(-)-5,5'-BIS[DI(3,5-DI-T-BUTYL-4-METHOXYPHENYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE]RUTHENIUM(II)
pro_formulaC74 H100 O8 P2 . 2 C2 H3 O2 . Ru
1Identification
【Name】
DIACETATO[(R)-(-)-5,5'-BIS[DI(3,5-DI-T-BUTYL-4-METHOXYPHENYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE]RUTHENIUM(II)
【CAS】
【MDL】
MFCD17018804
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C74 H100 O8 P2 . 2 C2 H3 O2 . Ru
【pro_molWeight】
1398.7
【Inchi】
InChI=1S/C74H100O8P2.2C2H4O2.Ru/c1-67(2,3)47-33-43(34-48(61(47)75-25)68(4,5)6)83(44-35-49(69(7,8)9)62(76-26)50(36-44)70(10,11)12)57-31-29-55-65(81-41-79-55)59(57)60-58(32-30-56-66(60)82-42-80-56)84(45-37-51(71(13,14)15)63(77-27)52(38-45)72(16,17)18)46-39-53(73(19,20)21)64(78-28)54(40-46)74(22,23)24;2*1-2(3)4;/h29-40H,41-42H2,1-28H3;2*1H3,(H,3,4);/q;;;+2/p-2
【InChIKey】
InChIKey=TZSINPYBMMRUEE-UHFFFAOYSA-L
【SMILES】
CC(=O)[O-].CC(=O)[O-].CC(C)(C)c1cc(cc(c1OC)C(C)(C)C)P(c2ccc3c(c2c4c(ccc5c4OCO5)P(c6cc(c(c(c6)C(C)(C)C)OC)C(C)(C)C)c7cc(c(c(c7)C(C)(C)C)OC)C(C)(C)C)OCO3)c8cc(c(c(c8)C(C)(C)C)OC)C(C)(C)C.[Ru+2]
【MOL File】
DIACETATO[(R)-(-)-5,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:8
XLogP3:25.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
DIACETATO[(R)-(-)-5,5'-BIS[DI(3,5-DI-T-BUTYL-4-METHOXYPHENYL)PHOSPHINO]-4,4'-BI-1,3-BENZODIOXOLE]RUTHENIUM(II).cml