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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

chromoxane cyanin r  

Type

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

charge

  • 0

formula

  • C23H15Na3O9S

inchi

  • InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3/b19-14+;;;

inchikey

  • FFUMCSDSJNSMQH-HEXQVDJKSA-K

mass

  • 536.39400

monoisotopicmass

  • 536.01299

smiles

  • [Na+].[Na+].[Na+].CC1=C/C(C=C(C([O-])=O)C1=O)=C(/c1cc(C)c(O)c(c1)C([O-])=O)c1ccccc1S([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • trisodium 5-[(3-carboxylato-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfonatophenyl)methyl]-2-hydroxy-3-methylbenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87376

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