<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337876</id>
  <title nil="true"/>
  <common-name>5-[[7-[(4-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]sulfamoyl]-2-hydroxybenzoic acid</common-name>
  <description>5-[[7-[(4-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]sulfamoyl]-2-hydroxybenzoic acid has the chemical formula C24H17N3O14S3. With an average molecular weight of 667.60 g/mol, 5-[[7-[(4-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]sulfamoyl]-2-hydroxybenzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136086368</pubchem-id>
  <chemical-formula>C24H17N3O14S3</chemical-formula>
  <weight>667.6</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">2026-08-30T20:51:11Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:51:11Z</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=C1C(=O)O)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)O</moldb-smiles>
  <moldb-formula>C24H17N3O14S3</moldb-formula>
  <moldb-inchi>InChI=1S/C24H17N3O14S3/c28-18-6-5-14(9-16(18)24(32)33)42(34,35)27-17-10-15(43(36,37)38)7-12-8-19(44(39,40)41)21(22(29)20(12)17)26-25-13-3-1-11(2-4-13)23(30)31/h1-10,27-29H,(H,30,31)(H,32,33)(H,36,37,38)(H,39,40,41)</moldb-inchi>
  <moldb-inchikey>UGDNPOAMPIODDV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">666.9872658</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.4</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>CHEM333769</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-[[7-[(4-carboxyphenyl)diazenyl]-8-hydroxy-3,6-disulfonaphthalen-1-yl]sulfamoyl]-2-hydroxybenzoic 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>CED0288305</sync-id>
  <structure-inchikey>UGDNPOAMPIODDV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000040000000000200000000000000000000082200000000000000000200000000001000000020000000004800000000000000080000000000200000000000000000000008000002020000020000000000000001004000000000000000000010000000800000000100000000000001000000400000000000000008000010000000000000000000000200080000000020000100080000000000200000000000000000800000000084002000000000000000000188000000000000000040000000100002100000000000004400080004000008000000200000000020000000000000003000040000000008400000000000000008100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <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�%&amp;h�$' #( ()(�(* �+ ��h���h��h�&amp;!h�B������������������������"#$%&amp;!����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:38:49Z</structure-indexed-at>
</compound>
