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Substance Name: Calcium bis(6-chloro-4-((2-hydroxy-3-((2-methoxyphenyl)carbamoyl)-1-naphthyl)azo)toluene-3-sulphonate)
RN: 85702-54-1
InChIKey: AGVXFPVRUAJHDU-PJGVNEGMSA-L

Molecular Formula

  • C25-H20-Cl-N3-O6-S.1/2Ca

Molecular Weight

  • 1089.9962
 
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Names and Synonyms

Synonym

  • EINECS 288-245-1

Systematic Name

  • Calcium bis(6-chloro-4-((2-hydroxy-3-((2-methoxyphenyl)carbamoyl)-1-naphthyl)azo)toluene-3-sulphonate)

Registry Numbers

CAS Registry Number

  • 85702-54-1

System Generated Number

  • 0085702541

Molecular Formulas

Molecular Formula

  • C25-H20-Cl-N3-O6-S.1/2Ca

Molecular Formula Fragments

  • C25-H20-Cl-N3-O6-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C25H20ClN3O6S.Ca/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2/b2*29-28+;

InChIKey

AGVXFPVRUAJHDU-PJGVNEGMSA-L

Smiles

[Ca+2].c1(cc(c(cc1Cl)/N=N/c1c(c(cc2ccccc12)C(=O)Nc1c(cccc1)OC)O)S(=O)(=O)[O-])C.c1(cc(c(cc1Cl)/N=N/c1c(c(cc2ccccc12)C(=O)Nc1c(cccc1)OC)O)S(=O)(=O)[O-])C