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A1H22

Summary
Name:Glycerol ethoxylate
Synonyms:2-[2-[2-[2-[2-[2-[2,3-bis[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula:C39 H80 O21
Formal charge:0
Formula weight:885.04 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-[2-[2-[2-[2-[2,3-bis[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C39H80O21/c40-1-4-43-7-10-46-13-16-49-19-21-52-25-27-55-31-33-58-37-39(60-36-35-57-30-29-54-24-23-51-18-15-48-12-9-45-6-3-42)38-59-34-32-56-28-26-53-22-20-50-17-14-47-11-8-44-5-2-41/h39-42H,1-38H2
InChIKeyInChI1.06PVDRPYVNUSQYRG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO
SMILESCACTVS3.385OCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits2.0.7C(COCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO)O
SMILESOpenEye OEToolkits2.0.7C(COCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCO)OCCOCCOCCOCCOCCOCCO)O

227111

数据于2024-11-06公开中

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