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Substance Name: Thiamine naphthalene-1,5-disulfonate
RN: 573-09-1
InChIKey: STJLLECREIYBCK-UHFFFAOYSA-M

Molecular Formula

  • C12-H17-N4-O-S.C10-H7-O6-S2

Molecular Weight

  • 552.651
 
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Names and Synonyms

Results Name

  • Thiamine naphthalene-1,5-disulfonate

Synonym

  • EINECS 209-349-5

Systematic Name

  • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium hydrogen naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 573-09-1

System Generated Number

  • 0000573091

Molecular Formulas

Molecular Formula

  • C12-H17-N4-O-S.C10-H7-O6-S2

Molecular Formula Fragments

  • C10-H7-O6-S2
  • C12-H17-N4-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N4OS.C10H8O6S2/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1-6H,(H,11,12,13)(H,14,15,16)/q+1;/p-1

InChIKey

STJLLECREIYBCK-UHFFFAOYSA-M

Smiles

[n+]1(Cc2cnc(C)nc2N)c(C)c(CCO)sc1.S([O-])(=O)(=O)c1c2c(ccc1)c(ccc2)S(O)(=O)=O