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Substance Name: 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , aluminium salt
RN: 12227-77-9
InChIKey: YEGHTXIEAUDTPC-UHFFFAOYSA-K

Molecular Formula

  • C28-H31-N2-O3.1/3Al.Cl

Molecular Weight

  • 1461.01
 
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Names and Synonyms

Synonym

  • EINECS 235-439-9

Systematic Names

  • 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , aluminium salt
  • C.I. Pigment Red 173
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, chloride, aluminum salt

Registry Numbers

CAS Registry Number

  • 12227-77-9

System Generated Number

  • 0012227779

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.1/3Al.Cl

Molecular Formula Fragments

  • Al
  • C28-H31-N2-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/3C28H30N2O3.Al.3ClH/c3*1-5-29(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;;;;/h3*9-18H,5-8H2,1-4H3;;3*1H/q;;;+3;;;/p-3

InChIKey

YEGHTXIEAUDTPC-UHFFFAOYSA-K

Smiles

[o+]1c2c(c(c3ccccc3C([O-])=O)c3ccc(N(CC)CC)cc13)ccc(N(CC)CC)c2.[ClH-].[Al+3].[o+]1c2cc(ccc2c(c2c(cccc2)C([O-])=O)c2c1cc(cc2)N(CC)CC)N(CC)CC.[ClH-].[o+]1c2cc(ccc2c(c2c(cccc2)C([O-])=O)c2c1cc(cc2)N(CC)CC)N(CC)CC.[ClH-]