<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356197</id>
  <title nil="true"/>
  <common-name>7-amino-4-hydroxy-3-[[2-methoxy-6-sulfo-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid</common-name>
  <description>7-amino-4-hydroxy-3-[[2-methoxy-6-sulfo-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a compound with the formula C43H31N9O17S5. With an average molecular weight of 1,106 g/mol, 7-amino-4-hydroxy-3-[[2-methoxy-6-sulfo-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>135853668</pubchem-id>
  <chemical-formula>C43H31N9O17S5</chemical-formula>
  <weight>1106.1</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">2026-09-01T01:27:16Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:16Z</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(C2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC(=CC=C5)S(=O)(=O)O)S(=O)(=O)O)N=NC6=C(C=C7C(=C6O)C=CC(=C7N=NC8=CC(=CC=C8)S(=O)(=O)O)N)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C43H31N9O17S5</moldb-formula>
  <moldb-inchi>InChI=1S/C43H31N9O17S5/c1-69-38-21-37(49-48-36-15-14-35(28-10-8-26(18-31(28)36)72(60,61)62)47-45-22-4-2-6-24(16-22)70(54,55)56)32-19-27(73(63,64)65)9-11-29(32)41(38)51-52-42-39(74(66,67)68)20-33-30(43(42)53)12-13-34(44)40(33)50-46-23-5-3-7-25(17-23)71(57,58)59/h2-21,53H,44H2,1H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)</moldb-inchi>
  <moldb-inchikey>ULTTYTGFJBVNSQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">1105.044146</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM352090</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-amino-4-hydroxy-3-[[2-methoxy-6-sulfo-4-[[7-sulfo-4-[(3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]-8-[(3-sulfophenyl)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>1,1'-azonaphthalenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306447</sync-id>
  <structure-inchikey>ULTTYTGFJBVNSQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000003000000000080000000200010000000400010000000000001000000020000000000800002000000000000000080000000000000008000000100008000002020000020000020000100001004000000000000000000010000000840000000100000000200001000000000000800000000000001000040000002800000000000000000001000000000000000000000000020000000000000002800040000080000004000000000004000088001400000008080040000000000002000000000000002402080000000000004000200000000200000000000000002000440000000000000000000000020000010000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������J���Q���€���`�������(������@(������@(������@(������@(������@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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  <structure-indexed-at type="dateTime">2026-09-19T05:54:01Z</structure-indexed-at>
</compound>
