<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-09-01 10:10:22 UTC</creation_date>
  <update_date>2026-09-01 10:10:22 UTC</update_date>
  <accession/>
  <common_name>Bis[2-[2-[2-[2-[2-[2-[2-[2,6-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate</common_name>
  <class>SmallMolecule</class>
  <description>Bis[2-[2-[2-[2-[2-[2-[2-[2,6-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate has the chemical formula C76H139O18P. With an average molecular weight of 1,372 g/mol, Bis[2-[2-[2-[2-[2-[2-[2-[2,6-di(nonyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] hydrogen phosphate is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C76H139O18P</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>1370.969905</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>66172-83-6</cas_registry_number>
  <smiles>CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOCCOC2=C(C=CC=C2CCCCCCCCC)CCCCCCCCC</smiles>
  <inchi>InChI=1S/C76H139O18P/c1-5-9-13-17-21-25-29-35-71-39-33-40-72(36-30-26-22-18-14-10-6-2)75(71)91-67-63-87-59-55-83-51-47-79-43-45-81-49-53-85-57-61-89-65-69-93-95(77,78)94-70-66-90-62-58-86-54-50-82-46-44-80-48-52-84-56-60-88-64-68-92-76-73(37-31-27-23-19-15-11-7-3)41-34-42-74(76)38-32-28-24-20-16-12-8-4/h33-34,39-42H,5-32,35-38,43-70H2,1-4H3,(H,77,78)</inchi>
  <inchikey>CGRQJERSZJKLHJ-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>18.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>1370.969905</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCC1=C(C(=CC=C1)CCCCCCCCC)OCCOCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOCCOC2=C(C=CC=C2CCCCCCCCC)CCCCCCCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C76H139O18P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C76H139O18P/c1-5-9-13-17-21-25-29-35-71-39-33-40-72(36-30-26-22-18-14-10-6-2)75(71)91-67-63-87-59-55-83-51-47-79-43-45-81-49-53-85-57-61-89-65-69-93-95(77,78)94-70-66-90-62-58-86-54-50-82-46-44-80-48-52-84-56-60-88-64-68-92-76-73(37-31-27-23-19-15-11-7-3)41-34-42-74(76)38-32-28-24-20-16-12-8-4/h33-34,39-42H,5-32,35-38,43-70H2,1-4H3,(H,77,78)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CGRQJERSZJKLHJ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb3ba88f8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>105317</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
