Chem
J-GLOBAL ID：200907002181708258   Nikkaji number：J1.074.606J

6-Phenyl-1,3-dimethyl-4,8-diethoxycyclohepta[c]thiolium

6-フェニル-1,3-ジメチル-4,8-ジエトキシシクロヘプタ[c]チオリウム
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： C21H23O2[S+]
Molecular formula furigana： C21-H23-O2-S
Molecular weight： 339.470
InChI： InChI=1S/C21H23O2S/c1-5-22-18-12-17(16-10-8-7-9-11-16)13-19(23-6-2)21-15(4)24-14(3)20(18)21/h7-13H,5-6H2,1-4H3/q+1
InChI key： UXWZHMAJWBPAAN-UHFFFAOYSA-N
SMILES： CCOc1cc(cc(OCC)c2c(C)[s+]c(C)c12)c1ccccc1
Systematic name  (3)：
  • 6-フェニル-1,3-ジメチル-4,8-ジエトキシシクロヘプタ[c]チオリウム
  • 4,8-ジエトキシ-1,3-ジメチル-6-フェニル-2λ4-シクロヘプタ[c]チオフェン-2-イリウム
  • 4,8-diethoxy-1,3-dimethyl-6-phenyl-2λ4-cyclohepta[c]thiophen-2-ylium
Other name (1)：
  • 6-Phenyl-1,3-dimethyl-4,8-diethoxycyclohepta[c]thiolium
Thsaurus map：
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