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Substance Name: (4-(2,6,7-Trihydroxy-3-oxo-3H-xanthenyl)phenyl)dimethylammonium hydrogen sulphate
RN: 71501-19-4
InChIKey: RRXLMJLBFRUIGS-UHFFFAOYSA-N

Molecular Formula

  • C21-H17-N-O5.H2-O4-S

Molecular Weight

  • 461.4451
 
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Names and Synonyms

Synonym

  • EINECS 275-549-4

Systematic Name

  • (4-(2,6,7-Trihydroxy-3-oxo-3H-xanthenyl)phenyl)dimethylammonium hydrogen sulphate

Registry Numbers

CAS Registry Number

  • 71501-19-4

System Generated Number

  • 0071501194

Molecular Formulas

Molecular Formula

  • C21-H17-N-O5.H2-O4-S

Molecular Formula Fragments

  • C21-H17-N-O5
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/C21H17NO5.H2O4S/c1-11(2)12-3-5-13(6-4-12)22-14-7-16(23)18(25)9-20(14)27-21-10-19(26)17(24)8-15(21)22;1-5(2,3)4/h3-11H,1-2H3,(H2,23,24,25,26);(H2,1,2,3,4)

InChIKey

RRXLMJLBFRUIGS-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(cc1)[n+]2c3cc(c(cc3oc-4cc(=O)c(cc24)O)O)O.OS(=O)(=O)[O-]