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  <id type="integer">130695</id>
  <title nil="true"/>
  <common-name>C.I. Pigment Orange 79</common-name>
  <description>C.I. Pigment Orange 79 belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It has the chemical formula C34H22N4O12S2Sr. With an average molecular weight of 830.30 g/mol, C.I. Pigment Orange 79 is a heavy molecule. It is further classified within the superclass of benzenoids.</description>
  <cas>250640-08-5</cas>
  <pubchem-id>135565143</pubchem-id>
  <chemical-formula>C34H22N4O12S2Sr</chemical-formula>
  <weight>830.3</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">2026-04-06T14:50:10Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:16:18Z</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>C1=CC(=CC=C1C(=O)O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.C1=CC(=CC=C1C(=O)O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Sr+2]</moldb-smiles>
  <moldb-formula>C34H22N4O12S2Sr</moldb-formula>
  <moldb-inchi>InChI=1S/2C17H12N2O6S.Sr/c2*20-15-8-3-11-9-13(26(23,24)25)6-7-14(11)16(15)19-18-12-4-1-10(2-5-12)17(21)22;/h2*1-9,20H,(H,21,22)(H,23,24,25);/q;;+2/p-2</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">825.9809886</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
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  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM126588</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00129278</susdat-id>
  <iupac nil="true"/>
  <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">0</paper-count>
  <sync-id>CED0135503</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:48:54Z</structure-indexed-at>
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