<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351980</id>
  <title nil="true"/>
  <common-name>5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>172949</pubchem-id>
  <chemical-formula>C32H24N8O14S4</chemical-formula>
  <weight>872.8</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">2026-08-31T18:02:11Z</created-at>
  <updated-at type="dateTime">2026-08-31T18:02:11Z</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=CC(=CC=C1N=NC2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O</moldb-smiles>
  <moldb-formula>C32H24N8O14S4</moldb-formula>
  <moldb-inchi>InChI=1S/C32H24N8O14S4/c33-23-13-21(55(43,44)45)9-15-11-25(57(49,50)51)29(31(41)27(15)23)39-37-19-5-1-17(2-6-19)35-36-18-3-7-20(8-4-18)38-40-30-26(58(52,53)54)12-16-10-22(56(46,47)48)14-24(34)28(16)32(30)42/h1-14,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)</moldb-inchi>
  <moldb-inchikey>AIWLMUMQMQFXTM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">872.0294822</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM347873</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>5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-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>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0302270</sync-id>
  <structure-inchikey>AIWLMUMQMQFXTM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80200000000000000000200000000001000000020000200000800000000000000000000000000000000000000000000000008000002020000020000000000000002004000000000000000000010001000800000000100000000200001000000400000000000000008000000000000000000000000000000000001000020000000000000000000000000000000000000800000000080000000000000000004000088000000000000000040000000100002000000000000000400080000000000000000200000000000000000000000003000040000000000000000000000000008000000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ����������������:���?���€��@h�������@h�������@(������@h�������@h�������@(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@(������@(������@(������@h�������@(������@h�������@(������@h�������@(������� ������(�������(�������`������� ������(�������(�������`�������h��������h��������(�������(������@(������@(������@(������@(������@h�������@(������@h�������@(������@h�������@(������� ������(�������(�������`������� ������(�������(�������`�������h��������h���������h���h���h���h���h��� ��(��� �	h�	
h�
�h���h��h��� ��(��� ��h���h���h���h���h���h���h���h���h����������������������� ���!��" �# �$ $%(�%&amp; &amp;'h�'(h�()h�)*h�*+h�+,h�,-h�-.h�./h�/0�01��02��03�+4�45��46��47�)8 '9 ��h��h���h���h�/&amp;h�-(h�B������������	
������������������'(-./&amp;�)*+,-(����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:49Z</structure-indexed-at>
</compound>
