Chem
J-GLOBAL ID:201807009288027029   Nikkaji number:J3.721.582A

Bis[8-(hexadecyloxy)-2,3,6a,6b-tetrahydro-1,1,2,2,3,3-hexafluoro-6a,6b-dimethyl-6,7-dithia-1H-trindene-5-carboxylic acid]1,6-pyrenediylbis(tetramethylene) ester

ビス[8-(ヘキサデシルオキシ)-2,3,6a,6b-テトラヒドロ-1,1,2,2,3,3-ヘキサフルオロ-6a,6b-ジメチル-6,7-ジチア-1H-トリンデン-5-カルボン酸]1,6-ピレンジイルビス(テトラメチレン)
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: C88H106F12O6S4
Molecular formula furigana: C88-H106-F12-O6-S4
Molecular weight: 1616.030
InChI: InChI=1S/C88H106F12O6S4/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-35-49-103-69-55-65-75-73(83(89,90)87(97,98)85(75,93)94)63-53-67(107-79(63,3)81(65,5)109-69)77(101)105-51-37-33-39-57-41-43-59-46-48-62-58(42-44-60-45-47-61(57)71(59)72(60)62)40-34-38-52-106-78(102)68-54-64-74-76(86(95,96)88(99,100)84(74,91)92)66-56-70(110-82(66,6)80(64,4)108-68)104-50-36-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h41-48,53-56H,7-40,49-52H2,1-6H3
InChI key: CROXRRKZSGXKBR-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCOC1=CC2=C3C(=C4C=C(SC4(C)C2(C)S1)C(=O)OCCCCc1ccc2ccc4c(CCCCOC(=O)C5=CC6=C7C(=C8C=C(OCCCCCCCCCCCCCCCC)SC8(C)C6(C)S5)C(F)(F)C(F)(F)C7(F)F)ccc5ccc1c2c45)C(F)(F)C(F)(F)C3(F)F
Systematic name  (3):
  • ビス[8-(ヘキサデシルオキシ)-2,3,6a,6b-テトラヒドロ-1,1,2,2,3,3-ヘキサフルオロ-6a,6b-ジメチル-6,7-ジチア-1H-トリンデン-5-カルボン酸]1,6-ピレンジイルビス(テトラメチレン)
  • 4-(6-{4-[8,8,9,9,10,10-ヘキサフルオロ-14-(ヘキサデシルオキシ)-1,2-ジメチル-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-4-カルボニルオキシ]ブチル}ピレン-1-イル)ブチル 8,8,9,9,10,10-ヘキサフルオロ-14-(ヘキサデシルオキシ)-1,2-ジメチル-3,15-ジチアテトラシクロ[10.3.0.02,6.07,11]ペンタデカ-4,6,11,13-テトラエン-4-カルボキシラート
  • 4-(6-{4-[8,8,9,9,10,10-hexafluoro-14-(hexadecyloxy)-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-4-carbonyloxy]butyl}pyren-1-yl)butyl 8,8,9,9,10,10-hexafluoro-14-(hexadecyloxy)-1,2-dimethyl-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-4,6,11,13-tetraene-4-carboxylate
Other name (1):
  • Bis[8-(hexadecyloxy)-2,3,6a,6b-tetrahydro-1,1,2,2,3,3-hexafluoro-6a,6b-dimethyl-6,7-dithia-1H-trindene-5-carboxylic acid]1,6-pyrenediylbis(tetramethylene) ester
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