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P5R

Summary
Name:2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Formula:C34 H70 O18
Formal charge:0
Formula weight:766.909 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2
InChIKeyInChI1.06NIELXDCPHZJHGM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILESCACTVS3.385OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
SMILES_CANONICALOpenEye OEToolkits2.0.7C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
SMILESOpenEye OEToolkits2.0.7C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O

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PDB entries from 2024-07-24

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