188625-67-4
M-CARBONYLHEXACARBONYL(M-[1,1-DIMETHYL-ETHYL-2-[(MERCAPTO-S:S)METHYL]-1-PYRROLIDINECARBOXYLATO])-DIFERRATE
NameM-CARBONYLHEXACARBONYL(M-[1,1-DIMETHYL-ETHYL-2-[(MERCAPTO-S:S)METHYL]-1-PYRROLIDINECARBOXYLATO])-DIFERRATE
FormulaC11 H18 Fe2 N O3 S . 6 C O
1Identification
【Name】
M-CARBONYLHEXACARBONYL(M-[1,1-DIMETHYL-ETHYL-2-[(MERCAPTO-S:S)METHYL]-1-PYRROLIDINECARBOXYLATO])-DIFERRATE
【CAS】
【MDL】
MFCD16876499
【English Synonyms】
【Formula】
C11 H18 Fe2 N O3 S . 6 C O
【MolWeight】
524.083
【Inchi】
InChI=1S/C10H18NO2S.7CO.2Fe/c1-10(2,3)13-9(12)11-6-4-5-8(11)7-14;7*1-2;;/h8H,4-7H2,1-3H3;;;;;;;;;
【InChIKey】
InChIKey=CTTWUWRPNLKNIQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCCC1C[S]2[Fe]C(=O)[Fe]2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
【MOL File】
M-CARBONYLHEXACARBON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
M-CARBONYLHEXACARBONYL(M-[1,1-DIMETHYL-ETHYL-2-[(MERCAPTO-S:S)METHYL]-1-PYRROLIDINECARBOXYLATO])-DIFERRATE.cml