Chem
J-GLOBAL ID：200907063781258697   Nikkaji number：J293.327F

IR-140 cation

IR-140カチオン
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： C39H34Cl2N2[N+]S2
Molecular formula furigana： C39-H34-CL2-N3-S2
Molecular weight： 679.740
InChI： InChI=1S/C39H34Cl2N3S2/c1-3-42-33-25-29(40)19-21-35(33)45-37(42)23-17-27-15-16-28(18-24-38-43(4-2)34-26-30(41)20-22-36(34)46-38)39(27)44(31-11-7-5-8-12-31)32-13-9-6-10-14-32/h5-14,17-26H,3-4,15-16H2,1-2H3/q+1
InChI key： ODXKVQKYWCBUDK-UHFFFAOYSA-N
SMILES： CCn1c(=CC=C2CCC(=C2N(c2ccccc2)c2ccccc2)C=Cc2sc3ccc(Cl)cc3[n+]2CC)sc2ccc(Cl)cc12
Systematic name  (4)：
  • 5-クロロ-2-[2-[3-[2-(5-クロロ-3-エチルベンゾチアゾール-2(3H)-イリデン)エチリデン]-2-(ジフェニルアミノ)-1-シクロペンテン-1-イル]エテニル]-3-エチルベンゾチアゾール-3-イウム
  • 2-[2-[3-[2-(3-エチル-5-クロロ-2,3-ジヒドロベンゾチアゾール-2-イリデン)エチリデン]-2-(ジフェニルアミノ)-1-シクロペンテン-1-イル]エテニル]-3-エチル-5-クロロベンゾチアゾール-3-イウム
  • 5-クロロ-2-(2-{3-[2-(5-クロロ-3-エチル-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン)エチリデン]-2-(ジフェニルアミノ)シクロペンタ-1-エン-1-イル}エテニル)-3-エチル-1,3-ベンゾチアゾール-3-イウム
  • 5-chloro-2-(2-{3-[2-(5-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)ethylidene]-2-(diphenylamino)cyclopent-1-en-1-yl}ethenyl)-3-ethyl-1,3-benzothiazol-3-ium
Other name (4)：
  • 5-Chloro-2-[2-[3-[2-(5-chloro-3-ethylbenzothiazol-2(3H)-ylidene)ethylidene]-2-(diphenylamino)-1-cyclopenten-1-yl]ethenyl]-3-ethylbenzothiazol-3-ium
  • 2-[2-[3-[2-(3-Ethyl-5-chloro-2,3-dihydrobenzothiazole-2-ylidene)ethylidene]-2-(diphenylamino)-1-cyclopentene-1-yl]ethenyl]-3-ethyl-5-chlorobenzothiazole-3-ium
  • IR-140カチオン
  • IR-140 cation
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM