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PQE

Summary
Name:3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL
Synonyms:ANAPOE-C12E8
Formula:C29 H60 O8
Formal charge:0
Formula weight:536.782 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,6,12,15,18,21,24-heptaoxahexatriacontan-1-ol
OpenEye OEToolkits1.5.02-[2-[5-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC
SMILES_CANONICALCACTVS3.341CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
SMILESCACTVS3.341CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
SMILESOpenEye OEToolkits1.5.0CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
InChIInChI1.03InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3
InChIKeyInChI1.03GEEFJAPPTAALTR-UHFFFAOYSA-N

226262

PDB entries from 2024-10-16

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