Chem
J-GLOBAL ID:200907032558917023   Nikkaji number:J1.923.118F

4′-O-Carboxymethylequol

4′-O-カルボキシメチルエクオール
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: C17H16O5
Molecular formula furigana: C17-H16-O5
Molecular weight: 300.310
InChI: InChI=1S/C17H16O5/c18-14-4-1-12-7-13(9-22-16(12)8-14)11-2-5-15(6-3-11)21-10-17(19)20/h1-6,8,13,18H,7,9-10H2,(H,19,20)
InChI key: MHWHTXDXXMZGGU-UHFFFAOYSA-N
SMILES: OC(=O)COc1ccc(cc1)C1COc2cc(O)ccc2C1
Systematic name  (3):
  • 4-(7-ヒドロキシクロマン-3-イル)フェノキシ酢酸
  • 2-[4-(7-ヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル)フェノキシ]酢酸
  • 2-[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenoxy]acetic acid
Other name (3):
  • 4-(7-Hydroxychroman-3-yl)phenoxyacetic acid
  • 4′-O-カルボキシメチルエクオール
  • 4′-O-Carboxymethylequol
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