Chem
J-GLOBAL ID：201207028544781682   Nikkaji number：J3.062.594C

1-(2-Thienylmethylene)-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester

1-(2-チエニルメチレン)-2,6-ジオキソ-3aβ,4-ジフェニル-1,2,3,3a,6,6a-ヘキサヒドロペンタレン-5,6aβ-ジカルボン酸ジメチル
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： C29H22O6S
Molecular formula furigana： C29-H22-O6-S
Molecular weight： 498.550
InChI： InChI=1S/C29H22O6S/c1-34-26(32)23-24(18-10-5-3-6-11-18)28(19-12-7-4-8-13-19)17-22(30)21(16-20-14-9-15-36-20)29(28,25(23)31)27(33)35-2/h3-16H,17H2,1-2H3/t28-,29-/m0/s1
InChI key： TWDKXJHVDIUFAA-VMPREFPWSA-N
SMILES： COC(=O)C1=C(c2ccccc2)[C@]2(CC(=O)C(=Cc3cccs3)[C@@]2(C(=O)OC)C1=O)c1ccccc1
Systematic name  (3)：
  • 1-(2-チエニルメチレン)-2,6-ジオキソ-3aβ,4-ジフェニル-1,2,3,3a,6,6a-ヘキサヒドロペンタレン-5,6aβ-ジカルボン酸ジメチル
  • 2,3a-ジメチル (3aR,6aS)-3,5-ジオキソ-1,6a-ジフェニル-4-[(チオフェン-2-イル)メチリデン]-3,3a,4,5,6,6a-ヘキサヒドロペンタレン-2,3a-ジカルボキシラート
  • 2,3a-dimethyl (3aR,6aS)-3,5-dioxo-1,6a-diphenyl-4-[(thiophen-2-yl)methylidene]-3,3a,4,5,6,6a-hexahydropentalene-2,3a-dicarboxylate
Other name (1)：
  • 1-(2-Thienylmethylene)-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester
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