<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">343650</id>
  <title nil="true"/>
  <common-name>4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid</common-name>
  <description>4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid is a chemical compound with the formula C26H18N4O8S2. With an average molecular weight of 578.60 g/mol, 4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-sulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>22111</pubchem-id>
  <chemical-formula>C26H18N4O8S2</chemical-formula>
  <weight>578.6</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">2026-08-31T05:10:36Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:10:36Z</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=C2C(=C1)C(=CC=C2S(=O)(=O)O)NN=C3C=CC(=O)C(=NNC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O)C3=O</moldb-smiles>
  <moldb-formula>C26H18N4O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C26H18N4O8S2/c31-22-12-9-21(29-27-19-10-13-23(39(33,34)35)17-7-3-1-5-15(17)19)26(32)25(22)30-28-20-11-14-24(40(36,37)38)18-8-4-2-6-16(18)20/h1-14,27-28H,(H,33,34,35)(H,36,37,38)</moldb-inchi>
  <moldb-inchikey>DRLSINXEHBBLOE-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">578.0566059</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.6</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>CHEM339543</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>4-[2-[4,6-dioxo-5-[(4-sulfonaphthalen-1-yl)hydrazinylidene]cyclohex-2-en-1-ylidene]hydrazinyl]naphthalene-1-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>CED0294024</sync-id>
  <structure-inchikey>DRLSINXEHBBLOE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000008000000000000000000000000000000000000000000000000020000100020000400000800000000000000000000000000000000400000000000000008000000020008020000000000000000004000000000000000000010100100800000001000000000000000000000000000000000000000000000000080000800000000000000080000000000100000080000000000000000000000000000000040800080000000000000000000000080000100000000000000000040000000000000000000000000200000000000000200200000010010000000000800000800040000000000000000080000000000000000808000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAoAAAALAAAAIABBkBoAAAAAwMBBkBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:00Z</structure-indexed-at>
</compound>
