Chem
J-GLOBAL ID:200907025280902341   Nikkaji number:J1.286.061G

5,5′-Bis[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-Δ2,2′-bi[1,3-dithiol]-4,4′-dicarbonitrile

5,5′-ビス[[4,5-ビス(メトキシカルボニル)-1,3-ジチオール-2-イリデン]メチル]-Δ2,2′-ビ[1,3-ジチオール]-4,4′-ジカルボニトリル
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: C24H14N2O8S8
Molecular formula furigana: C24-H14-N2-O8-S8
Molecular weight: 714.860
InChI: InChI=1S/C24H14N2O8S8/c1-31-19(27)15-16(20(28)32-2)40-13(39-15)5-9-11(7-25)37-23(35-9)24-36-10(12(8-26)38-24)6-14-41-17(21(29)33-3)18(42-14)22(30)34-4/h5-6H,1-4H3
InChI key: FOUIFLDBELHHFI-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(S/C(=C\C2=C(SC(=C3SC(=C(S3)C#N)/C=C\3/SC(=C(S3)C(=O)OC)C(=O)OC)S2)C#N)/S1)C(=O)OC
Systematic name  (3):
  • 5,5′-ビス[[4,5-ビス(メトキシカルボニル)-1,3-ジチオール-2-イリデン]メチル]-Δ2,2′-ビ[1,3-ジチオール]-4,4′-ジカルボニトリル
  • 4,5-ジメチル 2-{[2-(4-{[4,5-ビス(メトキシカルボニル)-2H-1,3-ジチオール-2-イリデン]メチル}-5-シアノ-2H-1,3-ジチオール-2-イリデン)-5-シアノ-2H-1,3-ジチオール-4-イル]メチリデン}-2H-1,3-ジチオール-4,5-ジカルボキシラート
  • 4,5-dimethyl 2-{[2-(4-{[4,5-bis(methoxycarbonyl)-2H-1,3-dithiol-2-ylidene]methyl}-5-cyano-2H-1,3-dithiol-2-ylidene)-5-cyano-2H-1,3-dithiol-4-yl]methylidene}-2H-1,3-dithiole-4,5-dicarboxylate
Other name (1):
  • 5,5′-Bis[[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]methyl]-Δ2,2′-bi[1,3-dithiol]-4,4′-dicarbonitrile
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