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Substance Name: 2'-Xanthylic acid, disodium salt
RN: 97635-41-1
InChIKey: KZDUVEIAYSOERP-LGVAUZIVSA-L

Molecular Formula

  • C10-H13-N4-O9-P.2Na

Molecular Weight

  • 408.1699
 
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Names and Synonyms

Synonym

  • EINECS 307-401-2

Systematic Name

  • 2'-Xanthylic acid, disodium salt

Registry Numbers

CAS Registry Number

  • 97635-41-1

System Generated Number

  • 0097635411

Molecular Formulas

Molecular Formula

  • C10-H13-N4-O9-P.2Na

Molecular Formula Fragments

  • C10-H13-N4-O9-P
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H13N4O9P.2Na/c15-1-3-5(16)6(23-24(19,20)21)9(22-3)14-2-11-4-7(14)12-10(18)13-8(4)17;;/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1

InChIKey

KZDUVEIAYSOERP-LGVAUZIVSA-L

Smiles

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)([O-])[O-])[nH]c(=O)[nH]c2=O.[Na+].[Na+]