Chem
J-GLOBAL ID:200907047434061063   Nikkaji number:J1.303.674H

Bis[4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)oxy]benzoic acid]m-phenylenebis(nitrilomethylidyne-p-phenylene) ester

ビス[4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-トリコサフルオロドデシル)オキシ]安息香酸]m-フェニレンビス(ニトリロメチリジン-p-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: C58H26F46N2O6
Molecular formula furigana: C58-H26-F46-N2-O6
Molecular weight: 1720.781
InChI: InChI=1S/C58H26F46N2O6/c59-37(60,39(63,64)41(67,68)43(71,72)45(75,76)47(79,80)49(83,84)51(87,88)53(91,92)55(95,96)57(99,100)101)23-109-31-16-8-27(9-17-31)35(107)111-33-12-4-25(5-13-33)21-105-29-2-1-3-30(20-29)106-22-26-6-14-34(15-7-26)112-36(108)28-10-18-32(19-11-28)110-24-38(61,62)40(65,66)42(69,70)44(73,74)46(77,78)48(81,82)50(85,86)52(89,90)54(93,94)56(97,98)58(102,103)104/h1-22H,23-24H2
InChI key: IWXUADPJGQNKOV-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COc1ccc(cc1)C(=O)Oc1ccc(C=Nc2cccc(c2)N=Cc2ccc(OC(=O)c3ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc3)cc2)cc1
Systematic name  (3):
  • ビス[4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-トリコサフルオロドデシル)オキシ]安息香酸]m-フェニレンビス(ニトリロメチリジン-p-フェニレン)
  • 4-{[(3-{[(4-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-トリコサフルオロドデシル)オキシ]ベンゾイルオキシ}フェニル)メチリデン]アミノ}フェニル)イミノ]メチル}フェニル 4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-トリコサフルオロドデシル)オキシ]ベンゾアート
  • 4-{[(3-{[(4-{4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)oxy]benzoyloxy}phenyl)methylidene]amino}phenyl)imino]methyl}phenyl 4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)oxy]benzoate
Other name (1):
  • Bis[4-[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecyl)oxy]benzoic acid]m-phenylenebis(nitrilomethylidyne-p-phenylene) ester
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