Chem
J-GLOBAL ID:200907027034497546   Nikkaji number:J666.478D

2-Carboxylato-1,1-dimethyl-5-methoxy-6-hydroxy-2,3-dihydro-1H-indolium

2-カルボキシラト-1,1-ジメチル-5-メトキシ-6-ヒドロキシ-2,3-ジヒドロ-1H-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: C12H15[N+]O3[O-]
Molecular formula furigana: C12-H15-N-O4
Molecular weight: 237.255
InChI: InChI=1S/C12H15NO4/c1-13(2)8-6-10(14)11(17-3)5-7(8)4-9(13)12(15)16/h5-6,9H,4H2,1-3H3,(H-,14,15,16)
InChI key: LKDYZUFEUNNZLA-UHFFFAOYSA-N
SMILES: COc1cc2CC(C(=O)[O-])[N+](C)(C)c2cc1O
Systematic name  (3):
  • 2-カルボキシラト-1,1-ジメチル-5-メトキシ-6-ヒドロキシ-2,3-ジヒドロ-1H-インドリウム
  • 6-ヒドロキシ-5-メトキシ-1,1-ジメチル-2,3-ジヒドロ-1H-インドール-1-イウム-2-カルボキシラート
  • 6-hydroxy-5-methoxy-1,1-dimethyl-2,3-dihydro-1H-indol-1-ium-2-carboxylate
Other name (1):
  • 2-Carboxylato-1,1-dimethyl-5-methoxy-6-hydroxy-2,3-dihydro-1H-indolium
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