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Concept information

Preferred term

reactive blue 2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H20ClN7O11S3

inchi

  • InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-9-8-14(11-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)

inchikey

  • JQYMGXZJTCOARG-UHFFFAOYSA-N

mass

  • 774.162

monoisotopicmass

  • 773.00715

smiles

  • Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • Reactive blue 2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:34946

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