Chem
J-GLOBAL ID：201207025260292178   Nikkaji number：J3.062.598F

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

1-(4-ホルミルベンジリデン)-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： C32H24O7
Molecular formula furigana： C32-H24-O7
Molecular weight： 520.537
InChI： InChI=1S/C32H24O7/c1-38-29(36)26-27(22-9-5-3-6-10-22)31(23-11-7-4-8-12-23)18-25(34)24(32(31,28(26)35)30(37)39-2)17-20-13-15-21(19-33)16-14-20/h3-17,19H,18H2,1-2H3/t31-,32-/m0/s1
InChI key： IZSNBZSQEIKGFG-ACHIHNKUSA-N
SMILES： COC(=O)C1=C(c2ccccc2)[C@]2(CC(=O)C(=Cc3ccc(C=O)cc3)[C@@]2(C(=O)OC)C1=O)c1ccccc1
Systematic name  (3)：
  • 1-(4-ホルミルベンジリデン)-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)-4-[(4-ホルミルフェニル)メチリデン]-3,5-ジオキソ-1,6a-ジフェニル-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)-4-[(4-formylphenyl)methylidene]-3,5-dioxo-1,6a-diphenyl-3,3a,4,5,6,6a-hexahydropentalene-2,3a-dicarboxylate
Other name (1)：
  • 1-(4-Formylbenzylidene)-2,6-dioxo-3aβ,4-diphenyl-1,2,3,3a,6,6a-hexahydropentalene-5,6aβ-dicarboxylic acid dimethyl ester
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