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Substance Name: 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydrogen sulphate
RN: 84912-22-1
InChIKey: BNZWRERQQNZTGE-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-N2-O3.H-O4-S

Molecular Weight

  • 540.6338
 
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Names and Synonyms

Synonym

  • EINECS 284-485-6

Systematic Name

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydrogen sulphate

Registry Numbers

CAS Registry Number

  • 84912-22-1

System Generated Number

  • 0084912221

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.H-O4-S

Molecular Formula Fragments

  • C28-H31-N2-O3
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C28H30N2O3.H2O4S/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-5(2,3)4/h9-18H,5-8H2,1-4H3;(H2,1,2,3,4)

InChIKey

BNZWRERQQNZTGE-UHFFFAOYSA-N

Smiles

CCN(CC)c1ccc2c(c1)oc-3cc(=[N+](CC)CC)ccc3c2c4ccccc4C(=O)O.OS(=O)(=O)[O-]