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2PE

Summary
Name:NONAETHYLENE GLYCOL
Formula:C18 H38 O10
Formal charge:0
Formula weight:414.488 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,6,9,12,15,18,21,24-octaoxahexacosane-1,26-diol
OpenEye OEToolkits1.5.02-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO
SMILES_CANONICALCACTVS3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESCACTVS3.341OCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
SMILESOpenEye OEToolkits1.5.0C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
InChIInChI1.03InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2
InChIKeyInChI1.03YZUUTMGDONTGTN-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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