Chem
J-GLOBAL ID：200907080252297875   Nikkaji number：J1.332.303H

2-Phenyl-4-[2-[2-chloro-3-[2-(2-phenyl-4H-1-benzothiopyran-4-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-1-benzothiopyrylium

2-フェニル-4-[2-[2-クロロ-3-[2-(2-フェニル-4H-1-ベンゾチオピラン-4-イリデン)エチリデン]-1-シクロヘキセニル]エテニル]-1-ベンゾチオピリリウム
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： C40H30ClS[S+]
Molecular formula furigana： C40-H30-CL-S2
Molecular weight： 610.250
InChI： InChI=1S/C40H30ClS2/c41-40-30(22-24-32-26-38(28-12-3-1-4-13-28)42-36-20-9-7-18-34(32)36)16-11-17-31(40)23-25-33-27-39(29-14-5-2-6-15-29)43-37-21-10-8-19-35(33)37/h1-10,12-15,18-27H,11,16-17H2/q+1
InChI key： KMSOVALKJZQAMS-UHFFFAOYSA-N
SMILES： ClC1=C(CCCC1=CC=C1C=C(Sc2ccccc12)c1ccccc1)C=Cc1cc([s+]c2ccccc12)c1ccccc1
Systematic name  (5)：
  • 4-[2-[3-[2-(2-フェニル-4H-1-ベンゾチオピラン-4-イリデン)エチリデン]-2-クロロ-1-シクロヘキセニル]エテニル]-2-フェニル-1-ベンゾチオピリリウム
  • 4-[2-[3-[2-(2-フェニル-4H-1-ベンゾチオピラン-4-イリデン)エチリデン]-2-クロロ-1-シクロヘキセン-1-イル]エテニル]-2-フェニル-1,2-ジデヒドロ-2H-1-ベンゾチオピラン-1-イウム
  • 2-フェニル-4-[2-[2-クロロ-3-[2-(2-フェニル-4H-1-ベンゾチオピラン-4-イリデン)エチリデン]-1-シクロヘキセニル]エテニル]-1-ベンゾチオピリリウム
  • 4-(2-{2-クロロ-3-[2-(2-フェニル-4H-チオクロメン-4-イリデン)エチリデン]シクロヘキサ-1-エン-1-イル}エテニル)-2-フェニル-1λ4-チオクロメン-1-イリウム
  • 4-(2-{2-chloro-3-[2-(2-phenyl-4H-thiochromen-4-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-2-phenyl-1λ4-thiochromen-1-ylium
Other name (3)：
  • 4-[2-[3-[2-(2-Phenyl-4H-1-benzothiopyran-4-ylidene)ethylidene]-2-chloro-1-cyclohexenyl]ethenyl]-2-phenyl-1-benzothiopyrylium
  • 4-[2-[3-[2-(2-Phenyl-4H-1-benzothiopyran-4-ylidene)ethylidene]-2-chloro-1-cyclohexene-1-yl]ethenyl]-2-phenyl-1,2-didehydro-2H-1-benzothiopyran-1-ium
  • 2-Phenyl-4-[2-[2-chloro-3-[2-(2-phenyl-4H-1-benzothiopyran-4-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-1-benzothiopyrylium
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