Chem
J-GLOBAL ID：200907008509731102
Nikkaji number：J2.776.587D
1,3,5,7-Tetramethyl-4,4-difluoro-3a-azonia-4a-aza-4-bora(IV)-s-indacene-8-propanoic acid
1,3,5,7-テトラメチル-4,4-ジフルオロ-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン-8-プロパン酸
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： C16H19BF2N[N+]O2
Molecular formula furigana： C16-H19-B-F2-N2-O2
Molecular weight： 320.150
InChI：
InChI=1S/C16H19BF2N2O2/c1-9-7-11(3)20-15(9)13(5-6-14(22)23)16-10(2)8-12(4)21(16)17(20,18)19/h7-8H,5-6H2,1-4H3,(H,22,23)/q+1
InChI key：
AASJBJCFMCENHA-UHFFFAOYSA-N
SMILES：
CC1=CC(=[N+]2C1=C(CCC(=O)O)c1c(C)cc(C)n1[B]2(F)F)C
Systematic name (3)：
- 1,3,5,7-テトラメチル-4,4-ジフルオロ-3a-アゾニア-4a-アザ-4-ボラ(IV)-s-インダセン-8-プロパン酸
- 8-(2-カルボキシエチル)-2,2-ジフルオロ-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
- 8-(2-carboxyethyl)-2,2-difluoro-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
- 1,3,5,7-Tetramethyl-4,4-difluoro-3a-azonia-4a-aza-4-bora(IV)-s-indacene-8-propanoic acid
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