2,2-Bis[[3-(octylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(octylthio)propionate]

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Catalog Number
ACM70942426
Product Name
2,2-Bis[[3-(octylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(octylthio)propionate]
Structure
Structure
CAS
70942-42-6
Category
Heterocyclic Organic Compound
Synonyms
EINECS 275-047-5; 3-Octylthiopropionic acid,pentaerythritol ester (4:1); 2,2-Bis((3-(octylthio)-1-oxopropoxy)methyl)-1,3-propanediyl 3-(octylthio)propionate; 2,2-Bis((3-(octylthio)-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-(octylthio)propionate);
IUPAC Name
[3-(3-octylsulfanylpropanoyloxy)-2,2-bis(3-octylsulfanylpropanoyloxymethyl)propyl] 3-octylsulfanylpropanoate
Molecular Weight
937.509980 [g/mol]
Molecular Formula
C49H92O8S4
Canonical SMILES
CCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCC)(COC(=O)CCSCCCCCCCC)COC(=O)CCSCCCCCCCC
InChI Key
RKRWNUJRTRJCND-UHFFFAOYSA-N
Boiling Point
877.5ºC at 760 mmHg
Flash Point
419.7ºC
Density
1.033g/cm³
EC Number
275-047-5
Exact Mass
936.56800
H-Bond Acceptor
8
H-Bond Donor
0
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