<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">108849</id>
  <title nil="true"/>
  <common-name>Everzol Orange GR</common-name>
  <description nil="true"/>
  <cas>129009-88-7</cas>
  <pubchem-id>101825578</pubchem-id>
  <chemical-formula>C21H14Cl2N6Na2O10S3</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-05T17:19:55Z</created-at>
  <updated-at type="dateTime">2026-04-05T17:19:55Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[Na+].[Na+].OC1=C(N=NC2=CC=C(C=C2)S(=O)(=O)CCOS([O-])(=O)=O)C(=CC2=C1C=CC(NC1=NC(Cl)=NC(Cl)=N1)=C2)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C21H14Cl2N6Na2O10S3</moldb-formula>
  <moldb-inchi>InChI=1S/C21H16Cl2N6O10S3.2Na/c22-19-25-20(23)27-21(26-19)24-13-3-6-15-11(9-13)10-16(41(33,34)35)17(18(15)30)29-28-12-1-4-14(5-2-12)40(31,32)8-7-39-42(36,37)38;;/h1-6,9-10,30H,7-8H2,(H,33,34,35)(H,36,37,38)(H,24,25,26,27);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>QPRQPQPFGRDKCN-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">723.43</moldb-average-mass>
  <moldb-mono-mass type="decimal">721.9105976</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM104742</chemdb-id>
  <dsstox-id>DTXSID601020364</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00078658</susdat-id>
  <iupac>Disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-({4-[2-(sulfonatooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
</compound>
