Chem
J-GLOBAL ID：200907067765378718   Nikkaji number：J1.502.762B

1,3,5,7-Tetramethyl-8-[4-[(11-hydroxy-11-oxoundecyl)oxy]phenyl]-4,4-difluoro-4-bora(V)-3a-azonia-4a-aza-s-indacene-4-ide

1,3,5,7-テトラメチル-8-[4-[(11-ヒドロキシ-11-オキソウンデシル)オキシ]フェニル]-4,4-ジフルオロ-4-ボラ(V)-3a-アゾニア-4a-アザ-s-インダセン-4-イド
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： C30H39[B-]F2N[N+]O3
Molecular formula furigana： C30-H39-B-F2-N2-O3
Molecular weight： 524.460
InChI： InChI=1S/C30H39BF2N2O3/c1-21-19-23(3)34-29(21)28(30-22(2)20-24(4)35(30)31(34,32)33)25-14-16-26(17-15-25)38-18-12-10-8-6-5-7-9-11-13-27(36)37/h14-17,19-20H,5-13,18H2,1-4H3,(H,36,37)
InChI key： WLGSZEVTPWQWSF-UHFFFAOYSA-N
SMILES： CC1=CC(=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccc(OCCCCCCCCCCC(=O)O)cc1)C
Systematic name  (3)：
  • 1,3,5,7-テトラメチル-8-[4-[(11-ヒドロキシ-11-オキソウンデシル)オキシ]フェニル]-4,4-ジフルオロ-4-ボラ(V)-3a-アゾニア-4a-アザ-s-インダセン-4-イド
  • 8-{4-[(10-カルボキシデシル)オキシ]フェニル}-2,2-ジフルオロ-4,6,10,12-テトラメチル-1λ5,3-ジアザ-2-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム-2-ウイド
  • 8-{4-[(10-carboxydecyl)oxy]phenyl}-2,2-difluoro-4,6,10,12-tetramethyl-1λ5,3-diaza-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
Other name (1)：
  • 1,3,5,7-Tetramethyl-8-[4-[(11-hydroxy-11-oxoundecyl)oxy]phenyl]-4,4-difluoro-4-bora(V)-3a-azonia-4a-aza-s-indacene-4-ide
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