Chem
J-GLOBAL ID：200907079394438079   Nikkaji number：J1.103.594I

9-(2-Carboxy-4-isothiocyanatophenyl)-3,6-bis(diethylamino)xanthylium

9-(2-カルボキシ-4-イソチオシアナトフェニル)-3,6-ビス(ジエチルアミノ)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： C29H30N3O2[O+]S
Molecular formula furigana： C29-H30-N3-O3-S
Molecular weight： 500.640
InChI： InChI=1S/C29H29N3O3S/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)22-12-9-19(30-18-36)15-25(22)29(33)34/h9-17H,5-8H2,1-4H3/p+1
InChI key： FEKYPCKSLOIOOJ-UHFFFAOYSA-O
SMILES： CCN(CC)c1ccc2c(c3ccc(cc3C(=O)O)N=C=S)c3ccc(cc3[o+]c2c1)N(CC)CC
Systematic name  (3)：
  • 9-(2-カルボキシ-4-イソチオシアナトフェニル)-3,6-ビス(ジエチルアミノ)キサンチリウム
  • 9-(2-カルボキシ-4-イソチオシアナトフェニル)-3,6-ビス(ジエチルアミノ)-10λ4-キサンテン-10-イリウム
  • 9-(2-carboxy-4-isothiocyanatophenyl)-3,6-bis(diethylamino)-10λ4-xanthen-10-ylium
Other name (1)：
  • 9-(2-Carboxy-4-isothiocyanatophenyl)-3,6-bis(diethylamino)xanthylium
Thsaurus map：
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