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CE1

Summary
Name:O-DODECANYL OCTAETHYLENE GLYCOL
Synonyms:THESIT
Formula:C28 H58 O9
Formal charge:0
Formula weight:538.755 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol
OpenEye OEToolkits1.5.02-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESCACTVS3.341CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChIInChI1.03InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
InChIKeyInChI1.03YYELLDKEOUKVIQ-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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