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Substance Name: Neopentanetetrayl 3-(dodecylthio)propionate
RN: 29598-76-3
UNII: 6P17RRS98U
InChIKey: VSVVZZQIUJXYQA-UHFFFAOYSA-N

Molecular Formula

  • C65-H124-O8-S4

Molecular Weight

  • 1161.95
 
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Names and Synonyms

Name of Substance

  • Neopentanetetrayl 3-(dodecylthio)propionate

Synonyms

  • EINECS 249-720-9
  • Neopentanetetrayl 3-(dodecylthio)propionate
  • UNII-6P17RRS98U

Systematic Names

  • 2,2-Bis((3-(dodecylthio)-1-oxopropoxy)methyl)propane-1,3-diyl bis(3-(dodecylthio)propionate)
  • Propanoic acid, 3-(dodecylthio)-, 1,1'-(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

Superlist Name

  • Propionic acid, 3-(dodecylthio)-, neopentanetetrayl ester

Registry Numbers

CAS Registry Number

  • 29598-76-3

FDA UNII

  • 6P17RRS98U

Other Registry Numbers

  • 113285-57-7
  • 72847-47-3
  • 888324-56-9

System Generated Number

  • 0029598763

Structure Descriptors

InChI

1S/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

InChIKey

VSVVZZQIUJXYQA-UHFFFAOYSA-N

Smiles

O=C(OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC)CCSCCCCCCCCCCCC