<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353130</id>
  <title nil="true"/>
  <common-name>1-amino-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-sulfinonaphthalene-2-sulfonic acid</common-name>
  <description>1-amino-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-sulfinonaphthalene-2-sulfonic acid is a compound with the formula C34H27N5O8S2. With an average molecular weight of 697.70 g/mol, 1-amino-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-sulfinonaphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>75753</pubchem-id>
  <chemical-formula>C34H27N5O8S2</chemical-formula>
  <weight>697.7</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">2026-08-31T19:52:32Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:52:32Z</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>COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)OC)N=NC5=CC6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)O</moldb-smiles>
  <moldb-formula>C34H27N5O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C34H27N5O8S2/c1-46-29-15-20(21-8-13-27(30(16-21)47-2)38-39-34-23-6-4-3-5-19(23)9-14-28(34)40)7-12-26(29)37-36-22-10-11-24-25(17-22)33(35)32(49(43,44)45)18-31(24)48(41)42/h3-18,40H,35H2,1-2H3,(H,41,42)(H,43,44,45)</moldb-inchi>
  <moldb-inchikey>RYHHCMMKYZKIGY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">697.1301052</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>CHEM349023</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>1-amino-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-4-sulfinonaphthalene-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>Benzene and substituted derivatives</klass>
  <subklass>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303414</sync-id>
  <structure-inchikey>RYHHCMMKYZKIGY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000000000300000000000400000100000000000040000020000000000800000001000100004000000000000000000000000004000008000002020000020000020000100000004000000000000004000010000000844000000100000800000001000000000000000000000000000000040000001800080000000000000801000000100040000000000004000000000000000000000040000080000000000100000004000181081010008000080000800040000102100000000000800400080000000000004000200000000000000000000000803020040000000000000000000000020800000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������1���6���€���`�������(������@(������@(������@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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������������������ !"#$��%&amp;'(!"����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:48Z</structure-indexed-at>
</compound>
