Chem
J-GLOBAL ID:200907017415259409   Nikkaji number:J642.129F

2-[(E)-2-(2-オキシラト-3-ブロモ-5-ニトロフェニル)エテニル]-1-オクタデシル-3,3-ジメチル-3H-インドリウム

2-[(E)-2-(2-オキシラト-3-ブロモ-5-ニトロフェニル)エテニル]-1-オクタデシル-3,3-ジメチル-3H-インドリウム
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: C36H51Br[N+]2O[O-]2
Molecular formula furigana: C36-H51-BR-N2-O3
Molecular weight: 639.719
InChI: InChI=1S/C36H51BrN2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-38-33-23-20-19-22-31(33)36(2,3)34(38)25-24-29-27-30(39(41)42)28-32(37)35(29)40/h19-20,22-25,27-28H,4-18,21,26H2,1-3H3
InChI key: KMGBQGMSJBGZME-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCC[N+]1=C(/C=C/c2cc(cc(Br)c2[O-])[N+](=O)[O-])C(C)(C)c2ccccc12
Systematic name  (3):
  • 2-[(E)-2-(2-オキシラト-3-ブロモ-5-ニトロフェニル)エテニル]-1-オクタデシル-3,3-ジメチル-3H-インドリウム
  • 2-[(1E)-2-(3-ブロモ-5-ニトロ-2-オキシドフェニル)エテニル]-3,3-ジメチル-1-オクタデシル-3H-インドール-1-イウム
  • 2-[(1E)-2-(3-bromo-5-nitro-2-oxidophenyl)ethenyl]-3,3-dimethyl-1-octadecyl-3H-indol-1-ium
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