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Substance Name: Calcium 2-((2-hydroxy-3-(((3-nitrophenyl)amino)carbonyl)-1-naphthyl)azo)naphthalenesulphonate
RN: 83863-53-0
InChIKey: SMOIIDYJANEKNQ-QGVJMCCGSA-L

Molecular Formula

  • C27-H18-N4-O7-S.1/2Ca

Molecular Weight

  • 1123.1146
 
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Names and Synonyms

Synonym

  • EINECS 281-117-6

Systematic Name

  • Calcium 2-((2-hydroxy-3-(((3-nitrophenyl)amino)carbonyl)-1-naphthyl)azo)naphthalenesulphonate

Registry Numbers

CAS Registry Number

  • 83863-53-0

System Generated Number

  • 0083863530

Molecular Formulas

Molecular Formula

  • C27-H18-N4-O7-S.1/2Ca

Molecular Formula Fragments

  • C27-H18-N4-O7-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C27H18N4O7S.Ca/c2*32-25-22(27(33)28-18-8-5-9-19(15-18)31(34)35)14-17-7-2-3-10-20(17)24(25)30-29-23-13-12-16-6-1-4-11-21(16)26(23)39(36,37)38;/h2*1-15,32H,(H,28,33)(H,36,37,38);/q;;+2/p-2/b2*30-29+;

InChIKey

SMOIIDYJANEKNQ-QGVJMCCGSA-L

Smiles

c1cc2c(c(c(cc2)/N=N/c3c(c(cc4c3cccc4)C(=O)Nc5cc(ccc5)[N+](=O)[O-])O)S(=O)(=O)[O-])cc1.c1cc2c(c(c(cc2)/N=N/c3c(c(cc4c3cccc4)C(=O)Nc5cc(ccc5)[N+](=O)[O-])O)S(=O)(=O)[O-])cc1.[Ca+2]