<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351309</id>
  <title nil="true"/>
  <common-name>7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid</common-name>
  <description>7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a chemical compound with the formula C31H26N6O7S2. With an average molecular weight of 658.70 g/mol, 7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas>63216-82-0</cas>
  <pubchem-id>81384</pubchem-id>
  <chemical-formula>C31H26N6O7S2</chemical-formula>
  <weight>658.7</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">2026-08-31T16:56:35Z</created-at>
  <updated-at type="dateTime">2026-08-31T16:56:35Z</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>CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC(=C(C=C3)N=NC4=CC5=C(C=C(C=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)C</moldb-smiles>
  <moldb-formula>C31H26N6O7S2</moldb-formula>
  <moldb-inchi>InChI=1S/C31H26N6O7S2/c1-18-13-23(33-31(38)20-3-6-22(32)7-4-20)9-11-28(18)36-34-24-10-12-29(19(2)14-24)37-35-25-8-5-21-15-26(45(39,40)41)17-30(27(21)16-25)46(42,43)44/h3-17H,32H2,1-2H3,(H,33,38)(H,39,40,41)(H,42,43,44)</moldb-inchi>
  <moldb-inchikey>ZNQZPVZEOOADIY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">658.1304395</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM347202</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>7-[[4-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-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>CED0301609</sync-id>
  <structure-inchikey>ZNQZPVZEOOADIY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000008180300000000000000000200000000005000000020000000000800000000040100000400002000000000000000000000000008000000020000020000020000000000004000000008000000000010000000810000000180080000000001000000000000000000000000000000040000000000000000000000080009000000000000000000000000000000400000000000000040008084100000000000000004000088001000000000000000000000000000000000000000000400080004000002000000200000000001008008000000003000040000000000400000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAuAAAAMgAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:14Z</structure-indexed-at>
</compound>
