<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356200</id>
  <title nil="true"/>
  <common-name>7-[[4-[[4-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-5-sulfophenyl)diazenyl]phenyl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid</common-name>
  <description>7-[[4-[[4-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-5-sulfophenyl)diazenyl]phenyl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid has the chemical formula C43H33N9O13S3. With an average molecular weight of 980.00 g/mol, 7-[[4-[[4-[[4-[[2,4-dihydroxy-5-[(2-hydroxy-5-sulfophenyl)diazenyl]phenyl]diazenyl]benzoyl]amino]-2-methylphenyl]diazenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>138756753</pubchem-id>
  <chemical-formula>C43H33N9O13S3</chemical-formula>
  <weight>980</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">2026-09-01T01:27:31Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:31Z</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=NC3=CC(=C(C=C3O)O)N=NC4=C(C=CC(=C4)S(=O)(=O)O)O)N=NC5=CC(=C(C=C5)N=NC6=CC7=C(C=C(C=C7C=C6)S(=O)(=O)O)S(=O)(=O)O)C</moldb-smiles>
  <moldb-formula>C43H33N9O13S3</moldb-formula>
  <moldb-inchi>InChI=1S/C43H33N9O13S3/c1-23-15-28(44-43(56)25-3-6-27(7-4-25)45-50-37-21-38(41(55)22-40(37)54)52-51-36-19-31(66(57,58)59)11-14-39(36)53)9-12-34(23)48-46-29-10-13-35(24(2)16-29)49-47-30-8-5-26-17-32(67(60,61)62)20-42(33(26)18-30)68(63,64)65/h3-22,53-55H,1-2H3,(H,44,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)</moldb-inchi>
  <moldb-inchikey>GDGRKJMGAJTFMA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">979.1359957</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7</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>CHEM352093</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-[[2,4-dihydroxy-5-[(2-hydroxy-5-sulfophenyl)diazenyl]phenyl]diazenyl]benzoyl]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>Benzene and substituted derivatives</klass>
  <subklass>Anilides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306450</sync-id>
  <structure-inchikey>GDGRKJMGAJTFMA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>802000000000000000000000000002000000000000008180300000000000000000200000000005000000024000000000800000000040100000400002000000000000000000000000008000000020000020000020000000001004000000008000000000010000000810000000180000000000001000000000000000100000000000000040000000000000000000000080000000000000000000000000008000000400000000000000040008084100000000000000000000188001000000008000000000000300002100000000000000400080004000002000000200000000001000008000000003000040000000000400000000000000200000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������D���J���€���`������@(������@(������@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��� �� �	(��
 
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����������� !��*+,-.)�2389:1�456783����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
