Chem
J-GLOBAL ID：200907095941374825   Nikkaji number：J859.255A

3,6-Bis(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium

3,6-ビス(ジメチルアミノ)-9-[2-(メトキシカルボニル)フェニル]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： C25H25N2O2[O+]
Molecular formula furigana： C25-H25-N2-O3
Molecular weight： 401.485
InChI： InChI=1S/C25H25N2O3/c1-26(2)16-10-12-20-22(14-16)30-23-15-17(27(3)4)11-13-21(23)24(20)18-8-6-7-9-19(18)25(28)29-5/h6-15H,1-5H3/q+1
InChI key： WAWRKBQQBUDAMY-UHFFFAOYSA-N
SMILES： COC(=O)c1ccccc1c1c2ccc(cc2[o+]c2cc(ccc12)N(C)C)N(C)C
Systematic name  (4)：
  • 3,6-ビス(ジメチルアミノ)-9-[2-(メトキシカルボニル)フェニル]キサンチリウム
  • 9-[2-(メトキシカルボニル)フェニル]-3,6-ビス(ジメチルアミノ)キサンチリウム
  • 3,6-ビス(ジメチルアミノ)-9-[2-(メトキシカルボニル)フェニル]-10λ4-キサンテン-10-イリウム
  • 3,6-bis(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]-10λ4-xanthen-10-ylium
Other name (2)：
  • 9-[2-(Methoxycarbonyl)phenyl]-3,6-bis(dimethylamino)xanthylium
  • 3,6-Bis(dimethylamino)-9-[2-(methoxycarbonyl)phenyl]xanthylium
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