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Substance Name: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydroxide (1:1)
RN: 13082-47-8
InChIKey: ROBRTKNZGHQYCR-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-N2-O3.H-O

Molecular Weight

  • 460.571
 
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Names and Synonyms

Synonyms

  • Ammonium, (9-(o-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)diethyl-, hydroxide
  • EINECS 235-992-6

Systematic Names

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydroxide
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, hydroxide (1:1)

Registry Numbers

CAS Registry Number

  • 13082-47-8

System Generated Number

  • 0013082478

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.H-O

Molecular Formula Fragments

  • C28-H31-N2-O3
  • COMPONENT
  • H-O

Structure Descriptors

InChI

1S/C28H30N2O3.H2O/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;/h9-18H,5-8H2,1-4H3;1H2

InChIKey

ROBRTKNZGHQYCR-UHFFFAOYSA-N

Smiles

[o+]1c2c(c(c3ccc(N(CC)CC)cc13)c1c(cccc1)C(O)=O)ccc(N(CC)CC)c2.[OH-]