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Substance Name: Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)
RN: 63549-46-2
InChIKey: LQTDOKDJOOHHGK-UHFFFAOYSA-N

Molecular Formula

  • C20-H15-N2-O3.H-O4-S

Molecular Weight

  • 428.419
 
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Names and Synonyms

Synonym

  • Benzoic acid, 2-(6-amino-3-imino-3H-xanthen-9-yl)-, sulfate (1:1)

Systematic Name

  • Xanthylium, 3,6-diamino-9-(2-carboxyphenyl)-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 63549-46-2

System Generated Number

  • 0063549462

Molecular Formulas

Molecular Formula

  • C20-H15-N2-O3.H-O4-S

Molecular Formula Fragments

  • C20-H15-N2-O3
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C20H14N2O3.H2O4S/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;1-5(2,3)4/h1-10H,21-22H2;(H2,1,2,3,4)

InChIKey

LQTDOKDJOOHHGK-UHFFFAOYSA-N

Smiles

c1c(cc2c(c1)c(c1c([o+]2)cc(N)cc1)c1ccccc1C(O)=O)N.S(=O)([O-])(=O)O