Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-((3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorosulphophenyl)methyl)-3-methylsalicylic acid
RN: 94086-53-0
InChIKey: GNKCWVPIWVNYKN-SFQUDFHCSA-N

Molecular Formula

  • C23-H16-Cl2-O9-S

Molecular Weight

  • 539.3424
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 301-841-9

Systematic Name

  • 5-((3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorosulphophenyl)methyl)-3-methylsalicylic acid

Registry Numbers

CAS Registry Number

  • 94086-53-0

System Generated Number

  • 0094086530

Structure Descriptors

InChI

1S/C23H16Cl2O9S/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)/b17-12+

InChIKey

GNKCWVPIWVNYKN-SFQUDFHCSA-N

Smiles

Cc1cc(cc(c1O)C(=O)O)/C(=C\2/C=C(C(=O)C(=C2)C(=O)O)C)/c3c(ccc(c3Cl)S(=O)(=O)O)Cl