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Substance Name: Acid green 22
RN: 5863-51-4
UNII: C86OTQ9YRV
InChIKey: AYQGOOLZDOHXAY-UHFFFAOYSA-M

Molecular Formula

  • C39-H39-Cl-N2-O6-S2.Na

Molecular Weight

  • 753.3122
 
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Names and Synonyms

Name of Substance

  • Acid green 22
  • Benzenemethanaminium, N-(4-((2-chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-me- thylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-eth- yl-3-sulfo-, hydroxide, inner salt, sodium salt
  • CI 42170
  • N-(4-((2-Chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-me- thylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-eth- yl-3-sulfobenzenemethanaminium hydroxide, inner salt, sodium salt

Synonyms

  • EINECS 227-513-4
  • UNII-C86OTQ9YRV

Systematic Names

  • Benzenemethanaminium, N-(4-((2-chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt
  • Benzenemethanaminium, N-(4-((2-chlorophenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • Hydrogen (4-((2-chlorophenyl)(4-(ethyl(3-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt

Registry Numbers

CAS Registry Number

  • 5863-51-4

FDA UNII

  • C86OTQ9YRV

System Generated Number

  • 0005863514

Molecular Formulas

Molecular Formula

  • C39-H39-Cl-N2-O6-S2.Na

Molecular Formula Fragments

  • C39-H39-Cl-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C39H39ClN2O6S2.Na/c1-5-41(25-29-11-9-13-33(23-29)49(43,44)45)31-17-19-35(27(3)21-31)39(37-15-7-8-16-38(37)40)36-20-18-32(22-28(36)4)42(6-2)26-30-12-10-14-34(24-30)50(46,47)48;/h7-24H,5-6,25-26H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1

InChIKey

AYQGOOLZDOHXAY-UHFFFAOYSA-M

Smiles

CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(c(c2)C)/C(=C/3\C=C/C(=[N+](/CC)\Cc4cccc(c4)S(=O)(=O)[O-])/C=C3C)/c5ccccc5Cl.[Na+]