Chem
J-GLOBAL ID:200907017255821121   Nikkaji number:J2.200.612F

2α,4β-Bis[4-(methylthio)phenyl]cyclobutane-1β,3α-dicarboxylic acid

2α,4β-ビス[4-(メチルチオ)フェニル]シクロブタン-1β,3α-ジカルボン酸
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: C20H20O4S2
Molecular formula furigana: C20-H20-O4-S2
Molecular weight: 388.500
InChI: InChI=1S/C20H20O4S2/c1-25-13-7-3-11(4-8-13)15-17(19(21)22)16(18(15)20(23)24)12-5-9-14(26-2)10-6-12/h3-10,15-18H,1-2H3,(H,21,22)(H,23,24)/t15?,16?,17-,18?
InChI key: FKYRLBUNZXAYGD-IKGPXJAHSA-N
SMILES: CSc1ccc(cc1)C1C(C([C@H]1C(=O)O)c1ccc(SC)cc1)C(=O)O
Systematic name  (3):
  • 2α,4β-ビス[4-(メチルチオ)フェニル]シクロブタン-1β,3α-ジカルボン酸
  • 2,4-ビス[4-(メチルスルファニル)フェニル]シクロブタン-1,3-ジカルボン酸
  • 2,4-bis[4-(methylsulfanyl)phenyl]cyclobutane-1,3-dicarboxylic acid
Other name (1):
  • 2α,4β-Bis[4-(methylthio)phenyl]cyclobutane-1β,3α-dicarboxylic acid
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