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Substance Name: 4-((5-Chloro-4-methyl-2-sulphophenyl)azo)-3-hydroxy-2-naphthoic acid, barium calcium salt
RN: 85005-86-3
InChIKey: SXFPLYOKRQKDOC-XJQIYIKESA-J

Molecular Formula

  • C18-H13-Cl-N2-O6-S.x-Ba.x-Ca

Molecular Weight

  • 1015.0318
 
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Names and Synonyms

Synonym

  • EINECS 285-017-3

Systematic Name

  • 4-((5-Chloro-4-methyl-2-sulphophenyl)azo)-3-hydroxy-2-naphthoic acid, barium calcium salt

Registry Numbers

CAS Registry Number

  • 85005-86-3

System Generated Number

  • 0085005863

Molecular Formulas

Molecular Formula

  • C18-H13-Cl-N2-O6-S.x-Ba.x-Ca

Molecular Formula Fragments

  • Ba
  • C18-H13-Cl-N2-O6-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C18H13ClN2O6S.Ba.Ca/c2*1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2*2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;;2*+2/p-4/b2*21-20+;;

InChIKey

SXFPLYOKRQKDOC-XJQIYIKESA-J

Smiles

Cc1c(cc(c(c1)S(=O)(=O)[O-])/N=N/c2c(c(cc3c2cccc3)C(=O)[O-])O)Cl.Cc1c(cc(c(c1)S(=O)(=O)[O-])/N=N/c2c(c(cc3c2cccc3)C(=O)[O-])O)Cl.[Ca+2].[Ba+2]