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RWB

Summary
Name:dodecaethylene glycol monomethyl ether
Synonyms:PEG-MME fragment n=12
polyethylene glycol monomethyl ether fragment n=12;PEG 550 MME
Formula:C25 H52 O13
Formal charge:0
Formula weight:560.673 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H52O13/c1-27-4-5-29-8-9-31-12-13-33-16-17-35-20-21-37-24-25-38-23-22-36-19-18-34-15-14-32-11-10-30-7-6-28-3-2-26/h26H,2-25H2,1H3
InChIKeyInChI1.03PLQZJIIDLZRWBG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESCACTVS3.385COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits2.0.7COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESOpenEye OEToolkits2.0.7COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO

221051

PDB entries from 2024-06-12

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