Chem
J-GLOBAL ID：200907087445571324   Nikkaji number：J1.607.162E

2,6-Diphenyl-4-[2-[2-chloro-3-[2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]cyclohexene-1-yl]ethenyl]thiopyrylium

2,6-ジフェニル-4-[2-[2-クロロ-3-[2-(2,6-ジフェニル-4H-チオピラン-4-イリデン)エチリデン]シクロヘキセン-1-イル]エテニル]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： C44H34ClS[S+]
Molecular formula furigana： C44-H34-CL-S2
Molecular weight： 662.330
InChI： InChI=1S/C44H34ClS2/c45-44-38(26-24-32-28-40(34-14-5-1-6-15-34)46-41(29-32)35-16-7-2-8-17-35)22-13-23-39(44)27-25-33-30-42(36-18-9-3-10-19-36)47-43(31-33)37-20-11-4-12-21-37/h1-12,14-21,24-31H,13,22-23H2/q+1
InChI key： LDGKYTBLPXFLOU-UHFFFAOYSA-N
SMILES： ClC1=C(CCCC1=C/C=C\1/C=C(SC(=C1)c1ccccc1)c1ccccc1)C=Cc1cc([s+]c(c1)c1ccccc1)c1ccccc1
Systematic name  (4)：
  • 2,6-ジフェニル-4-[2-[2-クロロ-3-[2-(2,6-ジフェニル-4H-チオピラン-4-イリデン)エチリデン]シクロヘキセン-1-イル]エテニル]チオピリリウム
  • 2,6-ジフェニル-4-[2-[2-クロロ-3-[2-(2,6-ジフェニル-1-チア-2,5-シクロヘキサジエン-4-イリデン)エチリデン]-1-シクロヘキセニル]エテニル]-1-チアベンゼン-1-イウム
  • 4-(2-{2-クロロ-3-[2-(2,6-ジフェニル-4H-チオピラン-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)-2,6-ジフェニル-1λ4-チオピラン-1-イリウム
  • 4-(2-{2-chloro-3-[2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]cyclohex-1-en-1-yl}ethenyl)-2,6-diphenyl-1λ4-thiopyran-1-ylium
Other name (2)：
  • 2,6-Diphenyl-4-[2-[2-chloro-3-[2-(2,6-diphenyl-4H-thiopyran-4-ylidene)ethylidene]cyclohexene-1-yl]ethenyl]thiopyrylium
  • 2,6-Diphenyl-4-[2-[2-chloro-3-[2-(2,6-diphenyl-1-thia-2,5-cyclohexadiene-4-ylidene)ethylidene]-1-cyclohexenyl]ethenyl]-1-thiabenzene-1-ium
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