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Substance Name: Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt (2:1)
RN: 68134-58-7
InChIKey: AZVSWPFSYXCDGG-UHFFFAOYSA-L

Molecular Formula

  • C15-H17-N-O6-S2.1/2Ca

Molecular Weight

  • 780.927
 
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Names and Synonyms

Synonyms

  • Bis(dimethyl(3-sulfophenyl)(3-sulfobenzyl)ammonium) calcium salt
  • EINECS 268-754-5

Systematic Names

  • Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, hydroxide, inner salt, calcium salt
  • Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt
  • Benzenemethanaminium, N,N-dimethyl-3-sulfo-N-(3-sulfophenyl)-, inner salt, calcium salt (2:1)
  • Dihydrogen bis(dimethyl(3-sulphonatobenzyl)(3-sulphonatophenyl)ammonium), calcium salt

Registry Numbers

CAS Registry Number

  • 68134-58-7

System Generated Number

  • 0068134587

Molecular Formulas

Molecular Formula

  • C15-H17-N-O6-S2.1/2Ca

Molecular Formula Fragments

  • C15-H17-N-O6-S2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H17NO6S2.Ca/c2*1-16(2,13-6-4-8-15(10-13)24(20,21)22)11-12-5-3-7-14(9-12)23(17,18)19;/h2*3-10H,11H2,1-2H3,(H-,17,18,19,20,21,22);/q;;+2/p-2

InChIKey

AZVSWPFSYXCDGG-UHFFFAOYSA-L

Smiles

S(=O)(=O)([O-])c1cccc(c1)[N+](C)(C)Cc1cccc(S(=O)(=O)[O-])c1.[Ca+2].S(=O)(=O)([O-])c1cccc(c1)[N+](C)(C)Cc1cccc(c1)S([O-])(=O)=O