Chem
J-GLOBAL ID:200907026135217580   Nikkaji number:J266.656A

1,1-Bis(6-bromo-5-hydroxy-2,3-dipropylphenyl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylic acid

1,1-ビス(6-ブロモ-5-ヒドロキシ-2,3-ジプロピルフェニル)-1,3-ジヒドロ-3-オキソイソベンゾフラン-5-カルボン酸
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: C33H36Br2O6
Molecular formula furigana: C33-H36-BR2-O6
Molecular weight: 688.453
InChI: InChI=1S/C33H36Br2O6/c1-5-9-18-16-25(36)29(34)27(21(18)11-7-3)33(24-14-13-20(31(38)39)15-23(24)32(40)41-33)28-22(12-8-4)19(10-6-2)17-26(37)30(28)35/h13-17,36-37H,5-12H2,1-4H3,(H,38,39)
InChI key: YTVMDQOFCKASDD-UHFFFAOYSA-N
SMILES: CCCc1cc(O)c(Br)c(c1CCC)C1(OC(=O)c2cc(ccc12)C(=O)O)c1c(Br)c(O)cc(CCC)c1CCC
Systematic name  (3):
  • 1,1-ビス(6-ブロモ-5-ヒドロキシ-2,3-ジプロピルフェニル)-1,3-ジヒドロ-3-オキソイソベンゾフラン-5-カルボン酸
  • 1,1-ビス(2-ブロモ-3-ヒドロキシ-5,6-ジプロピルフェニル)-3-オキソ-1,3-ジヒドロ-2-ベンゾフラン-5-カルボン酸
  • 1,1-bis(2-bromo-3-hydroxy-5,6-dipropylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
Other name (1):
  • 1,1-Bis(6-bromo-5-hydroxy-2,3-dipropylphenyl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylic acid
Regulation number (1):
  • (5)-3919
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