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Concept information

ترکیب آروماتیک آلی > آمین معطر > اسید آزاد متیل بلو

Preferred term

اسید آزاد متیل بلو  

Type

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

charge

  • 0

formula

  • C37H29N3O9S3

inchi

  • InChI=1S/C37H29N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49)

inchikey

  • RFKJHQXSLBUONF-UHFFFAOYSA-N

is_conjugate_acid_of

mass

  • 755.83600

monoisotopicmass

  • 755.10659

smiles

  • OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(=C2C=CC(C=C2)=Nc2ccc(cc2)S(O)(=O)=O)c2ccc(Nc3ccc(cc3)S(O)(=O)=O)cc2)cc1

subset

  • 3_STAR

synonym EXACT

  • 4,4'-{({4-[(4-sulfophenyl)imino]cyclohexa-2,5-dien-1-ylidene}methylene)bis[(4,1-phenylene)azanediyl]}di(benzene-1-sulfonic acid)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87477

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