Chem
J-GLOBAL ID：200907050534047417   Nikkaji number：J1.129.604A

9-(2-Carboxyphenyl)-3,6-bis(dimethylamino)-5-isothiocyanatoxanthylium

9-(2-カルボキシフェニル)-3,6-ビス(ジメチルアミノ)-5-イソチオシアナトキサンチリウム
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： C25H22N3O2[O+]S
Molecular formula furigana： C25-H22-N3-O3-S
Molecular weight： 444.530
InChI： InChI=1S/C25H21N3O3S/c1-27(2)15-9-10-18-21(13-15)31-24-19(11-12-20(28(3)4)23(24)26-14-32)22(18)16-7-5-6-8-17(16)25(29)30/h5-13H,1-4H3/p+1
InChI key： YOLLQAZJILRSEQ-UHFFFAOYSA-O
SMILES： CN(C)c1ccc2c(c3ccccc3C(=O)O)c3ccc(N(C)C)c(N=C=S)c3[o+]c2c1
Systematic name  (3)：
  • 9-(2-カルボキシフェニル)-3,6-ビス(ジメチルアミノ)-5-イソチオシアナトキサンチリウム
  • 9-(2-カルボキシフェニル)-3,6-ビス(ジメチルアミノ)-4-イソチオシアナト-10λ4-キサンテン-10-イリウム
  • 9-(2-carboxyphenyl)-3,6-bis(dimethylamino)-4-isothiocyanato-10λ4-xanthen-10-ylium
Other name (1)：
  • 9-(2-Carboxyphenyl)-3,6-bis(dimethylamino)-5-isothiocyanatoxanthylium
Thsaurus map：
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