Chem
J-GLOBAL ID：201807013738936056
Nikkaji number：J3.720.779I
1,3-Bis[5-[3,4,5-tris[(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)oxy]phenyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
1,3-ビス[5-[3,4,5-トリス[(7,7,8,8,9,9,10,10,11,11,12,12,12-トリデカフルオロドデシル)オキシ]フェニル]-1H-ピロール-2-イル]-3-[(ジフルオロボリル)オキシ]-2-プロペン-1-オン
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
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
Molecular formula： C95H83BF80N2O8
Molecular formula furigana： C95-H83-B-F80-N2-O8
Molecular weight： 2911.400
InChI：
InChI=1S/C95H83BF80N2O8/c97-60(98,66(109,110)72(121,122)78(133,134)84(145,146)90(157,158)159)29-13-1-7-19-35-180-54-41-46(42-55(181-36-20-8-2-14-30-61(99,100)67(111,112)73(123,124)79(135,136)85(147,148)91(160,161)162)58(54)184-39-23-11-5-17-33-64(105,106)70(117,118)76(129,130)82(141,142)88(153,154)94(169,170)171)48-25-27-50(177-48)52(179)45-53(186-96(175)176)51-28-26-49(178-51)47-43-56(182-37-21-9-3-15-31-62(101,102)68(113,114)74(125,126)80(137,138)86(149,150)92(163,164)165)59(185-40-24-12-6-18-34-65(107,108)71(119,120)77(131,132)83(143,144)89(155,156)95(172,173)174)57(44-47)183-38-22-10-4-16-32-63(103,104)69(115,116)75(127,128)81(139,140)87(151,152)93(166,167)168/h25-28,41-45,177-178H,1-24,29-40H2
InChI key：
WPWZFPHWPVLOQF-UHFFFAOYSA-N
SMILES：
FB(F)OC(=CC(=O)c1ccc([nH]1)c1cc(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1)c1ccc([nH]1)c1cc(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
Systematic name (3)：
- 1,3-ビス[5-[3,4,5-トリス[(7,7,8,8,9,9,10,10,11,11,12,12,12-トリデカフルオロドデシル)オキシ]フェニル]-1H-ピロール-2-イル]-3-[(ジフルオロボリル)オキシ]-2-プロペン-1-オン
- 3-オキソ-1,3-ビス(5-{3,4,5-トリス[(7,7,8,8,9,9,10,10,11,11,12,12,12-トリデカフルオロドデシル)オキシ]フェニル}-1H-ピロール-2-イル)プロパ-1-エン-1-イル ジフルオロボリナート
- 3-oxo-1,3-bis(5-{3,4,5-tris[(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)oxy]phenyl}-1H-pyrrol-2-yl)prop-1-en-1-yl difluoroborinate
- 1,3-Bis[5-[3,4,5-tris[(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)oxy]phenyl]-1H-pyrrole-2-yl]-3-[(difluoroboryl)oxy]-2-propene-1-one
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