Chem
J-GLOBAL ID:200907017645439031   Nikkaji number:J266.588C

1,1-Bis(2-bromo-3,5-diethyl-4-hydroxyphenyl)-1,3-dihydro-3-oxoisobenzofuran-6-carboxylic acid

1,1-ビス(2-ブロモ-3,5-ジエチル-4-ヒドロキシフェニル)-1,3-ジヒドロ-3-オキソイソベンゾフラン-6-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: C29H28Br2O6
Molecular formula furigana: C29-H28-BR2-O6
Molecular weight: 632.345
InChI: InChI=1S/C29H28Br2O6/c1-5-14-11-21(23(30)17(7-3)25(14)32)29(22-12-15(6-2)26(33)18(8-4)24(22)31)20-13-16(27(34)35)9-10-19(20)28(36)37-29/h9-13,32-33H,5-8H2,1-4H3,(H,34,35)
InChI key: VVTWHAFDMFVRDM-UHFFFAOYSA-N
SMILES: CCc1cc(c(Br)c(CC)c1O)C1(OC(=O)c2ccc(cc12)C(=O)O)c1cc(CC)c(O)c(CC)c1Br
Systematic name  (3):
  • 1,1-ビス(2-ブロモ-3,5-ジエチル-4-ヒドロキシフェニル)-1,3-ジヒドロ-3-オキソイソベンゾフラン-6-カルボン酸
  • 3,3-ビス(2-ブロモ-3,5-ジエチル-4-ヒドロキシフェニル)-1-オキソ-1,3-ジヒドロ-2-ベンゾフラン-5-カルボン酸
  • 3,3-bis(2-bromo-3,5-diethyl-4-hydroxyphenyl)-1-oxo-1,3-dihydro-2-benzofuran-5-carboxylic acid
Other name (1):
  • 1,1-Bis(2-bromo-3,5-diethyl-4-hydroxyphenyl)-1,3-dihydro-3-oxoisobenzofuran-6-carboxylic acid
Regulation number (1):
  • (5)-3919
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