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P4C

Summary
Name:O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
Synonyms:POLYETHYLENE 400
Formula:C14 H28 O8
Formal charge:0
Formula weight:324.367 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.0420-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-al
OpenEye OEToolkits1.5.02-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanal

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=CCOCCOCCOCCOCCOCCOCCO
SMILES_CANONICALCACTVS3.341OCCOCCOCCOCCOCCOCCOCC=O
SMILESCACTVS3.341OCCOCCOCCOCCOCCOCCOCC=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(COCCOCCOCCOCCOCCOCC=O)O
SMILESOpenEye OEToolkits1.5.0C(COCCOCCOCCOCCOCCOCC=O)O
InChIInChI1.03InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2
InChIKeyInChI1.03CTLLATPOKUEFSQ-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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