<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-02 22:37:13 UTC</creation_date>
  <update_date>2026-05-20 17:14:46 UTC</update_date>
  <accession/>
  <common_name>Acid Violet 9</common_name>
  <class>SmallMolecule</class>
  <description>Acid Violet 9 is an industrial dye with the chemical formula C34H26N2O6S1. With an average molecular weight of 612.63 g/mol, Acid Violet 9 is a heavy molecule. Acid Violet 9 belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. It is further classified as an organoheterocyclic compound.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>2-{(3E)-6-[(2-Methylphenyl)amino]-3-[(2-methyl-4-sulfophenyl)imino]-3H-xanthen-9-yl}benzoic acid</synonym>
    <synonym>Benzoic acid, 2-[(3E)-6-[(2-methylphenyl)amino]-3-[(2-methyl-4-sulfophenyl)imino]-3H-xanthen-9-yl]-</synonym>
    <synonym>Xanthylium, 9-(2-carboxyphenyl)-3-((2-methylphenyl)amino)-6-((2-methyl-4-sulfophenyl)amino)-, inner salt</synonym>
  </synonyms>
  <chemical_formula>C34H26N2O6S1</chemical_formula>
  <average_molecular_weight>612.63</average_molecular_weight>
  <monisotopic_moleculate_weight>590.151157</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>6252-76-2</cas_registry_number>
  <smiles>[Na+].CC1=CC=CC=C1NC1=CC2=[O+]C3=C(C=CC(NC4=C(C)C=C(C=C4)S([O-])(=O)=O)=C3)C(C3=CC=CC=C3C([O-])=O)=C2C=C1</smiles>
  <inchi>InChI=1S/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35-36H,1-2H3,(H-,37,38,39,40,41);/q;+1/p-1</inchi>
  <inchikey>UWMZZSRDUVJJDP-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>612.63</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>590.151157</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Na+].CC1=CC=CC=C1NC1=CC2=[O+]C3=C(C=CC(NC4=C(C)C=C(C=C4)S([O-])(=O)=O)=C3)C(C3=CC=CC=C3C([O-])=O)=C2C=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C34H26N2O6S1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C34H26N2O6S.Na/c1-20-7-3-6-10-29(20)35-22-11-14-27-31(18-22)42-32-19-23(36-30-16-13-24(17-21(30)2)43(39,40)41)12-15-28(32)33(27)25-8-4-5-9-26(25)34(37)38;/h3-19,35-36H,1-2H3,(H-,37,38,39,40,41);/q;+1/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UWMZZSRDUVJJDP-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727b578f38&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>135462958</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>55307</chemspider_id>
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  <biocyc_id/>
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  <general_references/>
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</compound>
