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Substance Name: Acid red 180
RN: 6408-26-0
InChIKey: XJDAFTLCMLCXER-ZELMBCLWSA-M

Molecular Formula

  • C32-H20-Cl2-Cr-N8-O10-S2.H.2Na

Molecular Weight

  • 782.537
 
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Names and Synonyms

Name of Substance

  • Acid red 180
  • Bis(5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4- -yl)azo)-2-hydroxybenzenesulfonato(3-))chromate(2-), disodium hydrogen
  • Chromate(2-), bis(5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4- -yl)azo)-2-hydroxybenzenesulfonato(3-))-, disodium hydrogen
  • CI 18736

Synonym

  • EINECS 229-051-9

Systematic Names

  • Chromate(3-), bis(5-chloro-3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))-, disodium hydrogen
  • Chromate(3-), bis(5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))-, disodium hydrogen
  • Chromate(3-), bis(5-chloro-3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))-, sodium hydrogen (1:2:1)
  • Disodium hydrogen bis(5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulphonato(3-))chromate(3-)

Registry Numbers

CAS Registry Number

  • 6408-26-0

System Generated Number

  • 0006408260

Molecular Formulas

Molecular Formula

  • C32-H20-Cl2-Cr-N8-O10-S2.H.2Na

Molecular Formula Fragments

  • C32-H20-Cl2-Cr-N8-O10-S2
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/2C17H14ClN4O2.Cr.2Na/c2*1-10-8-12(18)9-14(16(10)23)19-20-15-11(2)21-22(17(15)24)13-6-4-3-5-7-13;;;/h2*3-9,23H,1-2H3;;;/q2*-1;+3;2*+1/p-1/b2*20-19+;;;

InChIKey

XJDAFTLCMLCXER-ZELMBCLWSA-M

Smiles

C=12[C@@-](C(=NN2c2ccccc2)C)N=[N]2c3c([O-][Cr+3]452(O1)O=C1N(N=C([C@@-]1N=[N]5c1c(c(cc(c1)Cl)C)[O-]4)C)c1ccccc1)c(cc(c3)Cl)C.[Na+].[Na+]