Chem
J-GLOBAL ID:200907025532985059   Nikkaji number:J2.625.567H

2,5-Bis[[2,5-bis[(2-methoxyethoxy)methyl]-4-[[3-(1,3-dioxane-2-yl)-4-acetoxyphenyl]ethynyl]phenyl]ethynyl]benzoic acid pentafluorophenyl ester

2,5-ビス[[2,5-ビス[(2-メトキシエトキシ)メチル]-4-[[3-(1,3-ジオキサン-2-イル)-4-アセトキシフェニル]エチニル]フェニル]エチニル]安息香酸ペンタフルオロフェニル
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: C73H69F5O18
Molecular formula furigana: C73-H69-F5-O18
Molecular weight: 1329.329
InChI: InChI=1S/C73H69F5O18/c1-46(79)94-63-21-13-49(36-61(63)72-90-23-7-24-91-72)11-17-53-39-56(42-86-31-27-82-3)52(38-57(53)43-87-32-28-83-4)16-10-48-9-15-51(60(35-48)71(81)96-70-68(77)66(75)65(74)67(76)69(70)78)19-20-55-41-58(44-88-33-29-84-5)54(40-59(55)45-89-34-30-85-6)18-12-50-14-22-64(95-47(2)80)62(37-50)73-92-25-8-26-93-73/h9,13-15,21-22,35-41,72-73H,7-8,23-34,42-45H2,1-6H3
InChI key: UOAILXXVOFTQGE-UHFFFAOYSA-N
SMILES: COCCOCc1cc(C#Cc2ccc(C#Cc3cc(COCCOC)c(cc3COCCOC)C#Cc3ccc(OC(=O)C)c(c3)C3OCCCO3)c(c2)C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(COCCOC)cc1C#Cc1ccc(OC(=O)C)c(c1)C1OCCCO1
Systematic name  (3):
  • 2,5-ビス[[2,5-ビス[(2-メトキシエトキシ)メチル]-4-[[3-(1,3-ジオキサン-2-イル)-4-アセトキシフェニル]エチニル]フェニル]エチニル]安息香酸ペンタフルオロフェニル
  • 2,3,4,5,6-ペンタフルオロフェニル 2,5-ビス[2-(4-{2-[4-(アセチルオキシ)-3-(1,3-ジオキサン-2-イル)フェニル]エチニル}-2,5-ビス[(2-メトキシエトキシ)メチル]フェニル)エチニル]ベンゾアート
  • 2,3,4,5,6-pentafluorophenyl 2,5-bis[2-(4-{2-[4-(acetyloxy)-3-(1,3-dioxan-2-yl)phenyl]ethynyl}-2,5-bis[(2-methoxyethoxy)methyl]phenyl)ethynyl]benzoate
Other name (1):
  • 2,5-Bis[[2,5-bis[(2-methoxyethoxy)methyl]-4-[[3-(1,3-dioxane-2-yl)-4-acetoxyphenyl]ethynyl]phenyl]ethynyl]benzoic acid pentafluorophenyl ester
Thsaurus map:

Return to Previous Page