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A1IVY

Summary
Name:Pentaerythritol ethoxylate (15/4 EO/OH)
Synonyms:2-[3-(2-hydroxyethyloxy)-2,2-bis(2-hydroxyethyloxymethyl)propoxy]ethanol
Formula:C13 H28 O8
Formal charge:0
Formula weight:312.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[3-(2-hydroxyethyloxy)-2,2-bis(2-hydroxyethyloxymethyl)propoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C13H28O8/c14-1-5-18-9-13(10-19-6-2-15,11-20-7-3-16)12-21-8-4-17/h14-17H,1-12H2
InChIKeyInChI1.06RRQXXKCYECDESZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCOCC(COCCO)(COCCO)COCCO
SMILESCACTVS3.385OCCOCC(COCCO)(COCCO)COCCO
SMILES_CANONICALOpenEye OEToolkits2.0.7C(COCC(COCCO)(COCCO)COCCO)O
SMILESOpenEye OEToolkits2.0.7C(COCC(COCCO)(COCCO)COCCO)O

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PDB entries from 2026-08-05

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