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Substance Name: Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1)
RN: 75701-30-3
InChIKey: HRSPOERCBDCOBW-UHFFFAOYSA-N

Molecular Formula

  • C29-H30-N2-O5.Na

Molecular Weight

  • 509.555
 
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Names and Synonyms

Synonyms

  • EINECS 278-292-6
  • Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, monosodium salt

Systematic Names

  • Hydrogen 9-(2,5-dicarboxylatophenyl)-3,6-bis(diethylamino)xanthylium, sodium salt
  • Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(diethylamino)-, hydroxide, inner salt, sodium salt
  • Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt
  • Xanthylium, 9-(2,5-dicarboxyphenyl)-3,6-bis(diethylamino)-, inner salt, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 75701-30-3

System Generated Number

  • 0075701303

Molecular Formulas

Molecular Formula

  • C29-H30-N2-O5.Na

Molecular Formula Fragments

  • C29-H30-N2-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H30N2O5.Na/c1-5-30(6-2)19-10-13-22-25(16-19)36-26-17-20(31(7-3)8-4)11-14-23(26)27(22)24-15-18(28(32)33)9-12-21(24)29(34)35;/h9-17H,5-8H2,1-4H3,(H-,32,33,34,35);/q;+1

InChIKey

HRSPOERCBDCOBW-UHFFFAOYSA-N

Smiles

c1c(cc2c(c1)c(c1c([o+]2)cc(cc1)N(CC)CC)c1c(ccc(c1)C(O)=O)C([O-])=O)N(CC)CC.[Na+]