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Substance Name: Chromate(2-), (5-chloro-2-hydroxy-3-((5-hydroxynaphth(2,1-d)-1,3-oxathiol-4-yl)azo)benzenesulfonic acid S,S-dioxidato(3-))(2-chloro-6-(((2-hydroxyphenyl)methylene)amino)-4-nitrophenolato(2-)-N2,O1,O2)-, disodium
RN: 83733-24-8
InChIKey: HYYIVELILBTXRZ-YXZMJSLISA-I

Molecular Formula

  • C30-H15-Cl2-Cr-N4-O12-S2.2Na

Molecular Weight

  • 856.4785
 
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Names and Synonyms

Synonym

  • EINECS 280-677-9

Systematic Name

  • Chromate(2-), (5-chloro-2-hydroxy-3-((5-hydroxynaphth(2,1-d)-1,3-oxathiol-4-yl)azo)benzenesulfonic acid S,S-dioxidato(3-))(2-chloro-6-(((2-hydroxyphenyl)methylene)amino)-4-nitrophenolato(2-)-N2,O1,O2)-, disodium

Registry Numbers

CAS Registry Number

  • 83733-24-8

System Generated Number

  • 0083733248

Molecular Formulas

Molecular Formula

  • C30-H15-Cl2-Cr-N4-O12-S2.2Na

Molecular Formula Fragments

  • C30-H15-Cl2-Cr-N4-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H11ClN2O8S2.C13H9ClN2O4.Cr.2Na/c18-8-5-11(15(22)12(6-8)30(25,26)27)19-20-13-14(21)9-3-1-2-4-10(9)16-17(13)29(23,24)7-28-16;14-10-5-9(16(19)20)6-11(13(10)18)15-7-8-3-1-2-4-12(8)17;;;/h1-6,21-22H,7H2,(H,25,26,27);1-7,17-18H;;;/q;;+3;2*+1/p-5/b20-19+;15-7+;;;

InChIKey

HYYIVELILBTXRZ-YXZMJSLISA-I

Smiles

c1ccc2c(c1)/C=N/c3cc(cc(c3O[Cr-2]45(O2)Oc6c7ccccc7c8c(c6/N=N/c9cc(cc(c9O4)S(=O)(=O)O5)Cl)S(=O)(=O)CO8)Cl)[N+](=O)[O-].[Na+].[Na+]