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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfonate oxoanion > reactive blue 5(3-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfonate oxoanion > reactive blue 5(3-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organosulfonate oxoanion > reactive blue 5(3-)

Preferred term

reactive blue 5(3-)  

Type

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

Broader concept

charge

  • -3

formula

  • C29H17ClN7O11S3

inchi

  • InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(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)/p-3

inchikey

  • NSDSIQGBHACTLY-UHFFFAOYSA-K

is_conjugate_base_of

mass

  • 771.13400

monoisotopicmass

  • 769.98532

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 1-amino-4-{[3-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-4-sulfonatophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

synonym RELATED

  • Reactive Blue 5 quinone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:61331

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