Chem
J-GLOBAL ID:200907025087045318   Nikkaji number:J744.746I

2-[4,5-Bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-5-(2,6-diphenyl-4H-thiopyran-4-ylidene)-1,3,4,6-tetrathiapentalene

2-[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]-5-(2,6-ジフェニル-4H-チオピラン-4-イリデン)-1,3,4,6-テトラチアペンタレン
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: C28H18O4S7
Molecular formula furigana: C28-H18-O4-S7
Molecular weight: 642.870
InChI: InChI=1S/C28H18O4S7/c1-31-22(29)20-21(23(30)32-2)35-25(34-20)26-38-27-28(39-26)37-24(36-27)17-13-18(15-9-5-3-6-10-15)33-19(14-17)16-11-7-4-8-12-16/h3-14H,1-2H3
InChI key: RANPFMFGBJAQAM-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(S/C(=C\2/SC3=C(S2)S/C(=C/2\C=C(SC(=C2)c2ccccc2)c2ccccc2)/S3)/S1)C(=O)OC
Systematic name  (3):
  • 2-[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]-5-(2,6-ジフェニル-4H-チオピラン-4-イリデン)-1,3,4,6-テトラチアペンタレン
  • 4,5-ジメチル 2-[5-(2,6-ジフェニル-4H-チオピラン-4-イリデン)-2H,5H-[1,3]ジチオロ[4,5-d][1,3]ジチオール-2-イリデン]-2H-1,3-ジチオール-4,5-ジカルボキシラート
  • 4,5-dimethyl 2-[5-(2,6-diphenyl-4H-thiopyran-4-ylidene)-2H,5H-[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Other name (1):
  • 2-[4,5-Bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-5-(2,6-diphenyl-4H-thiopyran-4-ylidene)-1,3,4,6-tetrathiapentalene
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