Chem
J-GLOBAL ID：200907030581646360   Nikkaji number：J1.529.383G

3,3′-Trimethylenebis[1-(chloromethyl)-2-methyl-5-tert-butylbenzene]

3,3′-トリメチレンビス[1-(クロロメチル)-2-メチル-5-tert-ブチルベンゼン]
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： C27H38Cl2
Molecular formula furigana： C27-H38-CL2
Molecular weight： 433.500
InChI： InChI=1S/C27H38Cl2/c1-18-20(12-24(26(3,4)5)14-22(18)16-28)10-9-11-21-13-25(27(6,7)8)15-23(17-29)19(21)2/h12-15H,9-11,16-17H2,1-8H3
InChI key： LUROCPJQCMVUQR-UHFFFAOYSA-N
SMILES： Cc1c(CCl)cc(cc1CCCc1cc(cc(CCl)c1C)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 3,3′-トリメチレンビス[1-(クロロメチル)-2-メチル-5-tert-ブチルベンゼン]
  • 5-tert-ブチル-1-{3-[5-tert-ブチル-3-(クロロメチル)-2-メチルフェニル]プロピル}-3-(クロロメチル)-2-メチルベンゼン
  • 5-tert-butyl-1-{3-[5-tert-butyl-3-(chloromethyl)-2-methylphenyl]propyl}-3-(chloromethyl)-2-methylbenzene
Other name (1)：
  • 3,3′-Trimethylenebis[1-(chloromethyl)-2-methyl-5-tert-butylbenzene]
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