Chem
J-GLOBAL ID：200907021228363275   Nikkaji number：J1.992.661C

1,3-Bis[4-(methoxycarbonyl)benzyloxy]-5-(2,4-dithiapentane-1-yl)benzene

1,3-ビス[4-(メトキシカルボニル)ベンジルオキシ]-5-(2,4-ジチアペンタン-1-イル)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： C27H28O6S2
Molecular formula furigana： C27-H28-O6-S2
Molecular weight： 512.640
InChI： InChI=1S/C27H28O6S2/c1-30-26(28)22-8-4-19(5-9-22)15-32-24-12-21(17-35-18-34-3)13-25(14-24)33-16-20-6-10-23(11-7-20)27(29)31-2/h4-14H,15-18H2,1-3H3
InChI key： WEBIMVDLJYOGEO-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(COc2cc(CSCSC)cc(OCc3ccc(cc3)C(=O)OC)c2)cc1
Systematic name  (3)：
  • 1,3-ビス[4-(メトキシカルボニル)ベンジルオキシ]-5-(2,4-ジチアペンタン-1-イル)ベンゼン
  • メチル 4-[(3-{[4-(メトキシカルボニル)フェニル]メトキシ}-5-({[(メチルスルファニル)メチル]スルファニル}メチル)フェノキシ)メチル]ベンゾアート
  • methyl 4-[(3-{[4-(methoxycarbonyl)phenyl]methoxy}-5-({[(methylsulfanyl)methyl]sulfanyl}methyl)phenoxy)methyl]benzoate
Other name (1)：
  • 1,3-Bis[4-(methoxycarbonyl)benzyloxy]-5-(2,4-dithiapentane-1-yl)benzene
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