Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Coomassie blue
RN: 78642-64-5
InChIKey: YVNQAIFQFWTPLQ-UHFFFAOYSA-N

Classification Code

  • Indicators and Reagents

Molecular Weight

  • 832.0501
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Coomassie Blue

Systematic Name

  • Coomassie Blue

Registry Numbers

CAS Registry Number

  • 78642-64-5

System Generated Number

  • 0078642645

Structure Descriptors

InChI

1S/C47H49N3O7S2/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56)

InChIKey

YVNQAIFQFWTPLQ-UHFFFAOYSA-N

Smiles

c1(cccc(c1)S(=O)(=O)[O-])C[N+](=C\1C=C(/C(=C(c2ccc(cc2)Nc2ccc(cc2)OCC)\c2c(cc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C)C=C1)C)/CC