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Reference substances

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IUPAC name:
2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]

Inventory

EC number:
249-720-9
EC name:
2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]
CAS number:
29598-76-3
CAS number:
29598-76-3
Synonyms
Names:
Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)- 1-oxopropoxy]methyl]-1,3-propanediyl ester
Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester
Identifier:
IUPAC name
2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(dodecylthio)propionate]
Identifier:
other: SMILES notation
O=C(OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC)CCSCCCCCCCCCCCC
3-{[3-(dodecylsulfanyl)propanoyl]oxy}-2,2-bis({[3-(dodecylsulfanyl)propanoyl]oxy}methyl)propyl 3-(dodecylsulfanyl)propanoate (non-preferred name)

Molecular and structural information

Molecular formula:
C65H124O8S4
Molecular weight:
1 161.935
SMILES notation:
CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC
InChl:
InChI=1/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3
Structural formula:
Chemical structure

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