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AE4

Summary
Name:3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL
Formula:C12 H26 O6
Formal charge:0
Formula weight:266.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,6,9,12,15-pentaoxaheptadecan-1-ol
OpenEye OEToolkits1.5.02-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CCO)CCOCCOCCOCCOCC
SMILES_CANONICALCACTVS3.341CCOCCOCCOCCOCCOCCO
SMILESCACTVS3.341CCOCCOCCOCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOCCOCCOCCOCCOCCO
SMILESOpenEye OEToolkits1.5.0CCOCCOCCOCCOCCOCCO
InChIInChI1.03InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3
InChIKeyInChI1.03NJRFAMBTWHGSDE-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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