Chem
J-GLOBAL ID:200907004278195096   Nikkaji number:J2.504.326J

1-(10-Mercaptodecyloxymethyl)-3,5-bis[3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzyloxy]benzene

1-(10-メルカプトデシルオキシメチル)-3,5-ビス[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,10-トリデカフルオロデシルオキシ)ベンジルオキシ]ベンゼン
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: C91H82F78O9S
Molecular formula furigana: C91-H82-F78-O9-S
Molecular weight: 2833.580
InChI: InChI=1S/C91H82F78O9S/c92-56(93,62(104,105)68(116,117)74(128,129)80(140,141)86(152,153)154)21-7-14-28-171-50-37-46(38-51(172-29-15-8-22-57(94,95)63(106,107)69(118,119)75(130,131)81(142,143)87(155,156)157)54(50)175-32-18-11-25-60(100,101)66(112,113)72(124,125)78(136,137)84(148,149)90(164,165)166)43-177-48-35-45(42-170-27-13-5-3-1-2-4-6-20-34-179)36-49(41-48)178-44-47-39-52(173-30-16-9-23-58(96,97)64(108,109)70(120,121)76(132,133)82(144,145)88(158,159)160)55(176-33-19-12-26-61(102,103)67(114,115)73(126,127)79(138,139)85(150,151)91(167,168)169)53(40-47)174-31-17-10-24-59(98,99)65(110,111)71(122,123)77(134,135)83(146,147)89(161,162)163/h35-41,179H,1-34,42-44H2
InChI key: FFEAAOOMVFGLBL-UHFFFAOYSA-N
SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCOc1cc(COc2cc(COCCCCCCCCCCS)cc(OCc3cc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3)c2)cc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Systematic name  (3):
  • 1-(10-メルカプトデシルオキシメチル)-3,5-ビス[3,4,5-トリス(5,5,6,6,7,7,8,8,9,9,10,10,10-トリデカフルオロデシルオキシ)ベンジルオキシ]ベンゼン
  • 10-{[3,5-ビス({3,4,5-トリス[(5,5,6,6,7,7,8,8,9,9,10,10,10-トリデカフルオロデシル)オキシ]フェニル}メトキシ)フェニル]メトキシ}デカン-1-チオール
  • 10-{[3,5-bis({3,4,5-tris[(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)oxy]phenyl}methoxy)phenyl]methoxy}decane-1-thiol
Other name (1):
  • 1-(10-Mercaptodecyloxymethyl)-3,5-bis[3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyloxy)benzyloxy]benzene
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