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Substance Name: 3-Hydroxy-4-((1-sulpho-2-naphthyl)azo)-2-naphthoic acid, barium calcium salt
RN: 85005-87-4
InChIKey: IDNWAVOMYDSWIK-RIYHHPMSSA-J

Molecular Formula

  • C21-H14-N2-O6-S.x-Ba.x-Ca

Molecular Weight

  • 1018.2076
 
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Names and Synonyms

Synonym

  • EINECS 285-018-9

Systematic Name

  • 3-Hydroxy-4-((1-sulpho-2-naphthyl)azo)-2-naphthoic acid, barium calcium salt

Registry Numbers

CAS Registry Number

  • 85005-87-4

System Generated Number

  • 0085005874

Molecular Formulas

Molecular Formula

  • C21-H14-N2-O6-S.x-Ba.x-Ca

Molecular Formula Fragments

  • Ba
  • C21-H14-N2-O6-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C21H14N2O6S.Ba.Ca/c2*24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29;;/h2*1-11,24H,(H,25,26)(H,27,28,29);;/q;;2*+2/p-4/b2*23-22+;;

InChIKey

IDNWAVOMYDSWIK-RIYHHPMSSA-J

Smiles

c1cc2c(c(c(cc2)/N=N/c3c(c(cc4c3cccc4)C(=O)[O-])O)S(=O)(=O)[O-])cc1.c1cc2c(c(c(cc2)/N=N/c3c(c(cc4c3cccc4)C(=O)[O-])O)S(=O)(=O)[O-])cc1.[Ca+2].[Ba+2]