Chem
J-GLOBAL ID：200907036993847270   Nikkaji number：J927.720J

9-(2,5-Dicarboxyphenyl)-3,6-bis(dimethylamino)xanthylium

9-(2,5-ジカルボキシフェニル)-3,6-ビス(ジメチルアミノ)キサンチリウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C25H23N2O4[O+]
Molecular formula furigana： C25-H23-N2-O5
Molecular weight： 431.467
InChI： InChI=1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)/p+1
InChI key： COCMHKNAGZHBDZ-UHFFFAOYSA-O
SMILES： CN(C)c1ccc2c(c3cc(ccc3C(=O)O)C(=O)O)c3ccc(cc3[o+]c2c1)N(C)C
Systematic name  (3)：
  • 9-(2,5-ジカルボキシフェニル)-3,6-ビス(ジメチルアミノ)キサンチリウム
  • 9-(2,5-ジカルボキシフェニル)-3,6-ビス(ジメチルアミノ)-10λ4-キサンテン-10-イリウム
  • 9-(2,5-dicarboxyphenyl)-3,6-bis(dimethylamino)-10λ4-xanthen-10-ylium
Other name (1)：
  • 9-(2,5-Dicarboxyphenyl)-3,6-bis(dimethylamino)xanthylium
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