Chem
J-GLOBAL ID：201807020758126847   Nikkaji number：J3.721.541D

[3-(1,1,7,7-Tetraethyl-1,2,3,5,6,7-hexahydro-3,3,5,5-tetramethyl-s-indacene-4-yl)thiophene-1-ium]-1-ylbis(methoxycarbonyl)methylium

[3-(1,1,7,7-テトラエチル-1,2,3,5,6,7-ヘキサヒドロ-3,3,5,5-テトラメチル-s-インダセン-4-イル)チオフェン-1-イウム]-1-イルビス(メトキシカルボニル)メチリウム
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： C32[C+]H46O4[S+]
Molecular formula furigana： C33-H46-O4-S
Molecular weight： 538.790
InChI： InChI=1S/C33H46O4S/c1-11-32(12-2)19-30(5,6)25-22(32)17-23-26(31(7,8)20-33(23,13-3)14-4)24(25)21-15-16-38(18-21)27(28(34)36-9)29(35)37-10/h15-18H,11-14,19-20H2,1-10H3/q+2
InChI key： OZXMWBOOESGWIV-UHFFFAOYSA-N
SMILES： CCC1(CC)CC(C)(C)c2c1cc1c(c2C2=C[S+](C=C2)[C+](C(=O)OC)C(=O)OC)C(C)(C)CC1(CC)CC
Systematic name  (3)：
  • [3-(1,1,7,7-テトラエチル-1,2,3,5,6,7-ヘキサヒドロ-3,3,5,5-テトラメチル-s-インダセン-4-イル)チオフェン-1-イウム]-1-イルビス(メトキシカルボニル)メチリウム
  • 1-(1,3-ジメトキシ-1,3-ジオキソプロパン-2-イリウム-2-イル)-3-(1,1,7,7-テトラエチル-3,3,5,5-テトラメチル-1,2,3,5,6,7-ヘキサヒドロ-s-インダセン-4-イル)-1H-チオフェン-1-イウム
  • 1-(1,3-dimethoxy-1,3-dioxopropan-2-ylium-2-yl)-3-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-thiophen-1-ium
Other name (1)：
  • [3-(1,1,7,7-Tetraethyl-1,2,3,5,6,7-hexahydro-3,3,5,5-tetramethyl-s-indacene-4-yl)thiophene-1-ium]-1-ylbis(methoxycarbonyl)methylium
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