Chem
J-GLOBAL ID：200907076058799820   Nikkaji number：J2.668.816G

4-(5-Oxylato-1,3-benzodioxole-4-ylcarbonyl)-2,5-dichloro-3,6-diisopropoxybenzoic acid methyl ester

4-(5-オキシラト-1,3-ベンゾジオキソール-4-イルカルボニル)-2,5-ジクロロ-3,6-ジイソプロポキシ安息香酸メチル
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： C22H21Cl2O7[O-]
Molecular formula furigana： C22-H21-CL2-O8
Molecular weight： 484.300
InChI： InChI=1S/C22H22Cl2O8/c1-9(2)31-20-14(18(26)13-11(25)6-7-12-19(13)30-8-29-12)16(23)21(32-10(3)4)15(17(20)24)22(27)28-5/h6-7,9-10,25H,8H2,1-5H3/p-1
InChI key： HJGAHPWFEIAJCW-UHFFFAOYSA-M
SMILES： COC(=O)c1c(Cl)c(OC(C)C)c(C(=O)c2c3OCOc3ccc2[O-])c(Cl)c1OC(C)C
Systematic name  (3)：
  • 4-(5-オキシラト-1,3-ベンゾジオキソール-4-イルカルボニル)-2,5-ジクロロ-3,6-ジイソプロポキシ安息香酸メチル
  • 4-[2,5-ジクロロ-4-(メトキシカルボニル)-3,6-ビス(プロパン-2-イルオキシ)ベンゾイル]-2H-1,3-ベンゾジオキソール-5-オラート
  • 4-[2,5-dichloro-4-(methoxycarbonyl)-3,6-bis(propan-2-yloxy)benzoyl]-2H-1,3-benzodioxol-5-olate
Other name (1)：
  • 4-(5-Oxylato-1,3-benzodioxole-4-ylcarbonyl)-2,5-dichloro-3,6-diisopropoxybenzoic acid methyl ester
Thsaurus map：
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