<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338383</id>
  <title nil="true"/>
  <common-name>3-[[2,4-dihydroxy-5-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,5-disulfonic acid</common-name>
  <description>3-[[2,4-dihydroxy-5-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,5-disulfonic acid has the chemical formula C24H20N4O15S4. With an average molecular weight of 732.70 g/mol, 3-[[2,4-dihydroxy-5-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,5-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136072365</pubchem-id>
  <chemical-formula>C24H20N4O15S4</chemical-formula>
  <weight>732.7</weight>
  <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">2026-08-30T21:28:56Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:28:56Z</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>C1=CC2=C(C=C(C=C2S(=O)(=O)O)N=NC3=CC(=C(C=C3O)O)N=NC4=C(C=CC(=C4)S(=O)(=O)CCOS(=O)(=O)O)O)C(=C1)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H20N4O15S4</moldb-formula>
  <moldb-inchi>InChI=1S/C24H20N4O15S4/c29-20-5-4-14(44(32,33)7-6-43-47(40,41)42)10-17(20)27-28-19-11-18(21(30)12-22(19)31)26-25-13-8-16-15(24(9-13)46(37,38)39)2-1-3-23(16)45(34,35)36/h1-5,8-12,29-31H,6-7H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)</moldb-inchi>
  <moldb-inchikey>OGRUDXVFNINFRA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">731.9808006</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.3</logp>
  <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>CHEM334276</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-[[2,4-dihydroxy-5-[[2-hydroxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,5-disulfonic acid</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"/>
  <kingdom nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288810</sync-id>
  <structure-inchikey>OGRUDXVFNINFRA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>842000000000000001801000000000000000000000000000000000000000000000000000000001000000024000000000800000000000100000000040000800000000000000000000008000000020000020000000000100001004000000008000000000010000000800000000100000000000001000000000002000900000000001400000000000808000000000000400000200000000000000000000008000000000000000000000040000080000000000000000000000180001100000000800000000040200012100000000000000000280000000000000000200000000000000000000000002000040000000000000000000000000000000020000000200</structure-fingerprint>
  <structure-pattern-fingerprint>7114c4608d338270c9841be181b8a2809a0014928117a070a03d20408a34ea5e6c62001013b000480100492800c92020046003a4408f3625016e7d3980a24014c7119ca11a801603809052401af222000854c58051311eb740145562442253078cb8652f084c92204c0c8480ddfc006d30e690528109e50671da245102511a17184418084efcc20a0c070250c82c0288391dda124c429e0a53230c2060c2478441d3109311b0d2300a044d68017c35154ac1040289410a4850b04ab04cc00a12a40110a4b4d903331d8084a0771142990c210014236071428d7152802a4003049138453418890925134c2403d91620822a50163090c2040ed31892005a080602</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAvAAAAMgAAAIABBkBoAAAAAwMBBkBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:10Z</structure-indexed-at>
</compound>
