Chem
J-GLOBAL ID:200907049100813083   Nikkaji number:J777.962C

(E)-6-[(1,3-Dihydro-4-hydroxy-7-methyl-3-oxoisobenzofuran)-5-yl]-4-methyl-4-hexenoic acid

(E)-6-[(1,3-ジヒドロ-4-ヒドロキシ-7-メチル-3-オキソイソベンゾフラン)-5-イル]-4-メチル-4-ヘキセン酸
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: C16H18O5
Molecular formula furigana: C16-H18-O5
Molecular weight: 290.315
InChI: InChI=1S/C16H18O5/c1-9(4-6-13(17)18)3-5-11-7-10(2)12-8-21-16(20)14(12)15(11)19/h3,7,19H,4-6,8H2,1-2H3,(H,17,18)/b9-3+
InChI key: AXPFPYZPCCJJLA-YCRREMRBSA-N
SMILES: C/C(=C\Cc1cc(C)c2COC(=O)c2c1O)/CCC(=O)O
Systematic name  (3):
  • (E)-6-[(1,3-ジヒドロ-4-ヒドロキシ-7-メチル-3-オキソイソベンゾフラン)-5-イル]-4-メチル-4-ヘキセン酸
  • (4E)-6-(4-ヒドロキシ-7-メチル-3-オキソ-1,3-ジヒドロ-2-ベンゾフラン-5-イル)-4-メチルヘキサ-4-エン酸
  • (4E)-6-(4-hydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Other name (1):
  • (E)-6-[(1,3-Dihydro-4-hydroxy-7-methyl-3-oxoisobenzofuran)-5-yl]-4-methyl-4-hexenoic acid
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