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Substance Name: Calcium bis(3-acetoacetylaminobenzenesulphonate)
RN: 71463-38-2
InChIKey: APISXHYGURONAP-UHFFFAOYSA-L

Molecular Formula

  • C10-H11-N-O5-S.1/2Ca

Molecular Weight

  • 552.592
 
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Names and Synonyms

Synonym

  • EINECS 275-476-8

Systematic Name

  • Calcium bis(3-acetoacetylaminobenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 71463-38-2

System Generated Number

  • 0071463382

Molecular Formulas

Molecular Formula

  • C10-H11-N-O5-S.1/2Ca

Molecular Formula Fragments

  • C10-H11-N-O5-S
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H11NO5S.Ca/c2*1-7(12)5-10(13)11-8-3-2-4-9(6-8)17(14,15)16;/h2*2-4,6H,5H2,1H3,(H,11,13)(H,14,15,16);/q;;+2/p-2

InChIKey

APISXHYGURONAP-UHFFFAOYSA-L

Smiles

CC(=O)CC(=O)Nc1cccc(c1)S(=O)(=O)[O-].CC(=O)CC(=O)Nc1cccc(c1)S(=O)(=O)[O-].[Ca+2]