<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356195</id>
  <title nil="true"/>
  <common-name>2-[[1-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid</common-name>
  <description>2-[[1-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid is a compound with the formula C43H31N9O14S3. With an average molecular weight of 994.00 g/mol, 2-[[1-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136033667</pubchem-id>
  <chemical-formula>C43H31N9O14S3</chemical-formula>
  <weight>994</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">2026-09-01T01:27:07Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:27:07Z</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=NN(C(=O)C1N=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)C3=CC=C(C=C3)N=NC4=CC(=C(C5=C4C=C(C=C5)S(=O)(=O)O)N=NC6=C(C=C7C=C(C=CC7=C6O)NC8=CC=CC=C8)S(=O)(=O)O)O</moldb-smiles>
  <moldb-formula>C43H31N9O14S3</moldb-formula>
  <moldb-inchi>InChI=1S/C43H31N9O14S3/c1-22-38(48-46-34-16-13-29(68(61,62)63)20-33(34)43(56)57)42(55)52(51-22)27-10-7-25(8-11-27)45-47-35-21-36(53)39(31-15-12-28(19-32(31)35)67(58,59)60)49-50-40-37(69(64,65)66)18-23-17-26(9-14-30(23)41(40)54)44-24-5-3-2-4-6-24/h2-21,38,44,53-54H,1H3,(H,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)</moldb-inchi>
  <moldb-inchikey>CBZHTAHSFNLQAG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">993.1152602</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM352088</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>2-[[1-[4-[[4-[(6-anilino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]-3-hydroxy-7-sulfonaphthalen-1-yl]diazenyl]phenyl]-3-methyl-5-oxo-4h-pyrazol-4-yl]diazenyl]-5-sulfobenzoic 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>CED0306445</sync-id>
  <structure-inchikey>CBZHTAHSFNLQAG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4002000000000000000000000000003000000000000000180a00000005000000000000000000021004008020000002004800000000000000880000080100000000000008800000000008000002020000020000000000001001004000000008000000000010000000810000000100000000000001100000400000000000000100000010040000000800000000000000080000000000100000000000000000000000100000200002800040008080000000100000000000000088001410000098020040000000100002100000000000000400080000000002004000200000000200000000040000803000040000000008400400040400000000100001000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������E���L���€���`�������(�������(�������(�������(�������(�������`�������(�������(������@(������@(������@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>
