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Substance Name: C.I. Acid Blue 9, aluminum salt (3:2)
RN: 15792-67-3
InChIKey: KQVJZDZLEDQCSD-UHFFFAOYSA-H

Molecular Formula

  • C37-H36-N2-O9-S3.2/3Al

Molecular Weight

  • 2294.6
 
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Names and Synonyms

Results Name

  • C.I. Acid Blue 9, aluminum salt (3:2)

Synonyms

  • C.I. Acid Blue 9, aluminum salt (3:2)
  • EINECS 239-897-0

Systematic Names

  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, aluminum salt (3:2)
  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, aluminum salt (3:2)
  • Hexahydrogen tris((ethyl)(4-((4-(ethyl(3-sulphonatobenzyl)amino)phenyl)(2-sulphonatophenyl)methylene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium), dialuminium salt

Superlist Name

  • C.I. Acid Blue 9, aluminum salt (3:2)

Registry Numbers

CAS Registry Number

  • 15792-67-3

Related Registry Number

  • 25305-78-6 (Parent)

System Generated Number

  • 0015792673

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O9-S3.2/3Al

Molecular Formula Fragments

  • Al
  • C37-H36-N2-O9-S3
  • COMPONENT

Structure Descriptors

InChI

1S/3C37H36N2O9S3.2Al/c3*1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h3*5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;;;2*+3/p-6

InChIKey

KQVJZDZLEDQCSD-UHFFFAOYSA-H

Smiles

C(\c1c(cccc1)S(=O)(=O)[O-])(c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)=C1\C=CC(=[N+](/Cc2cc(ccc2)S(=O)(=O)[O-])CC)\C=C1.C(\c1c(cccc1)S(=O)(=O)[O-])(c1ccc(N(Cc2cc(ccc2)S(=O)(=O)[O-])CC)cc1)=C1\C=C\C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])CC)C=C1.C(\c1c(cccc1)S(=O)(=O)[O-])(c1ccc(N(Cc2cc(ccc2)S(=O)(=O)[O-])CC)cc1)=C1\C=C\C(=[N+](\Cc2cc(ccc2)S(=O)(=O)[O-])CC)C=C1.[Al+3].[Al+3]