Chem
J-GLOBAL ID:200907079089296744   Nikkaji number:J2.072.291F

Bis[4′-undecyl-1,1′-biphenyl-4-carboxylic acid]5-cyano-3,1-phenylenebis(oxycarbonyl)bis(3-fluoro-4,1-phenylene) ester

ビス[4′-ウンデシル-1,1′-ビフェニル-4-カルボン酸]5-シアノ-3,1-フェニレンビス(オキシカルボニル)ビス(3-フルオロ-4,1-フェニレン)
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: C69H71F2NO8
Molecular formula furigana: C69-H71-F2-N-O8
Molecular weight: 1080.323
InChI: InChI=1S/C69H71F2NO8/c1-3-5-7-9-11-13-15-17-19-21-49-23-27-52(28-24-49)54-31-35-56(36-32-54)66(73)77-58-39-41-62(64(70)46-58)68(75)79-60-43-51(48-72)44-61(45-60)80-69(76)63-42-40-59(47-65(63)71)78-67(74)57-37-33-55(34-38-57)53-29-25-50(26-30-53)22-20-18-16-14-12-10-8-6-4-2/h23-47H,3-22H2,1-2H3
InChI key: HIAFVAXKUDUQGR-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(C(=O)Oc2cc(OC(=O)c3ccc(OC(=O)c4ccc(cc4)c4ccc(CCCCCCCCCCC)cc4)cc3F)cc(c2)C#N)c(F)c1
Systematic name  (3):
  • ビス[4′-ウンデシル-1,1′-ビフェニル-4-カルボン酸]5-シアノ-3,1-フェニレンビス(オキシカルボニル)ビス(3-フルオロ-4,1-フェニレン)
  • 4-{[3-シアノ-5-(2-フルオロ-4-{4'-ウンデシル-[1,1'-ビフェニル]-4-カルボニルオキシ}ベンゾイルオキシ)フェノキシ]カルボニル}-3-フルオロフェニル 4'-ウンデシル-[1,1'-ビフェニル]-4-カルボキシラート
  • 4-{[3-cyano-5-(2-fluoro-4-{4'-undecyl-[1,1'-biphenyl]-4-carbonyloxy}benzoyloxy)phenoxy]carbonyl}-3-fluorophenyl 4'-undecyl-[1,1'-biphenyl]-4-carboxylate
Other name (1):
  • Bis[4′-undecyl-1,1′-biphenyl-4-carboxylic acid]5-cyano-3,1-phenylenebis(oxycarbonyl)bis(3-fluoro-4,1-phenylene) ester
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