<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347453</id>
  <title nil="true"/>
  <common-name>6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name>
  <description>6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C28H18N8O14S2. With an average molecular weight of 754.60 g/mol, 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas>82599-59-5</cas>
  <pubchem-id>135854075</pubchem-id>
  <chemical-formula>C28H18N8O14S2</chemical-formula>
  <weight>754.6</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">2026-08-31T11:12:51Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:12:51Z</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=C(C=C3C=CC(=CC3=C2O)N=NC4=C(C(=C(C=C4)O)N=NC5=C(C(=CC(=C5)S(=O)(=O)O)[N+](=O)[O-])O)O)S(=O)(=O)O)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C28H18N8O14S2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H18N8O14S2/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42/h1-12,37-40H,(H,45,46,47)(H,48,49,50)</moldb-inchi>
  <moldb-inchikey>WZASHSRORGLPMT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">754.0383896</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</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>CHEM343346</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>6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-3-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic 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>CED0297795</sync-id>
  <structure-inchikey>WZASHSRORGLPMT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000000000300000000000000000200000000001040000022000000000800000000000100000000000000000000000000000000000008000002020000028000020000000001804000000400040000000010000000a00000000100000000000001000000400000000000000000000000000000000000000000000000020000000001000000000000000000022000004000000000800040000080000000000000001000000198001400000000000040080000300002100000000000000400080000000000000000200000000000000420000000003000040000000000000000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������4���8���€��@h�������@h�������@(������@h�������@h�������@(�������(�������(������@(������@(������@h�������@(������@h�������@h�������@(������@h�������@(������@(�������h��������(�������(������@(������@(������@(������@(������@h�������@h��������h��������(�������(������@(������@(������@(������@h�������@(������@h�������� ������(�������(�������`������ *��������(������ *���ÿ����h��������h�������� ������(�������(�������`������ *��������(������ *���ÿ�����h���h���h���h���h��� ��(��� �	h�	
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�h���h��h��h���h���h���h��� �� ��(��� ��h���h���h���h���h��� �� ��(��� ��h�� h� !h�!"h�"#h�"$�$%��$&amp;��$'� ( ()(�(* �+ �, 	-�-.��-/��-0��1 12(�13 ��h���h���h���h�#�h�B������������	
������������������� !"#�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:00Z</structure-indexed-at>
</compound>
