Chem
J-GLOBAL ID:200907016720356329   Nikkaji number:J2.470.627C

1,3,5,7-Tetramethyl-2-[(1S)-2-(methoxycarbonyl)-2-cyclopentene-1β-yl]-4,4-difluoro-6-[2-(methoxycarbonyl)-2-cyclopentene-1-yl]-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene

1,3,5,7-テトラメチル-2-[(1S)-2-(メトキシカルボニル)-2-シクロペンテン-1β-イル]-4,4-ジフルオロ-6-[2-(メトキシカルボニル)-2-シクロペンテン-1-イル]-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
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: C27H31BF2N[N+]O4
Molecular formula furigana: C27-H31-B-F2-N2-O4
Molecular weight: 496.360
InChI: InChI=1S/C27H31BF2N2O4/c1-14-22-13-23-15(2)25(19-10-8-12-21(19)27(34)36-6)17(4)32(23)28(29,30)31(22)16(3)24(14)18-9-7-11-20(18)26(33)35-5/h11-13,18-19H,7-10H2,1-6H3/q+1/t18-,19?/m1/s1
InChI key: MGILQNLAMNZHCU-MRTLOADZSA-N
SMILES: COC(=O)C1=CCC[C@H]1C1=C(C)C2=Cc3c(C)c(C4CCC=C4C(=O)OC)c(C)n3[B](F)(F)[N+]2=C1C
Systematic name  (3):
  • 1,3,5,7-テトラメチル-2-[(1S)-2-(メトキシカルボニル)-2-シクロペンテン-1β-イル]-4,4-ジフルオロ-6-[2-(メトキシカルボニル)-2-シクロペンテン-1-イル]-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン
  • 2,2-ジフルオロ-11-[(1S)-2-(メトキシカルボニル)シクロペンタ-2-エン-1-イル]-5-[2-(メトキシカルボニル)シクロペンタ-2-エン-1-イル]-4,6,10,12-テトラメチル-1λ5,3-ジアザ-2λ4-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
  • 2,2-difluoro-11-[(1S)-2-(methoxycarbonyl)cyclopent-2-en-1-yl]-5-[2-(methoxycarbonyl)cyclopent-2-en-1-yl]-4,6,10,12-tetramethyl-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1):
  • 1,3,5,7-Tetramethyl-2-[(1S)-2-(methoxycarbonyl)-2-cyclopentene-1β-yl]-4,4-difluoro-6-[2-(methoxycarbonyl)-2-cyclopentene-1-yl]-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene
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