Chem
J-GLOBAL ID:200907032696209846   Nikkaji number:J1.395.159D

2-Chloro-4-(hexyloxy)thiobenzoic acid S-[4-(hexyloxy)phenyl] ester

2-クロロ-4-(ヘキシルオキシ)チオ安息香酸S-[4-(ヘキシルオキシ)フェニル]
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: C25H33ClO3S
Molecular formula furigana: C25-H33-CL-O3-S
Molecular weight: 449.050
InChI: InChI=1S/C25H33ClO3S/c1-3-5-7-9-17-28-20-11-14-22(15-12-20)30-25(27)23-16-13-21(19-24(23)26)29-18-10-8-6-4-2/h11-16,19H,3-10,17-18H2,1-2H3
InChI key: BJPLITBUKBYIAI-UHFFFAOYSA-N
SMILES: CCCCCCOc1ccc(SC(=O)c2ccc(OCCCCCC)cc2Cl)cc1
Systematic name  (4):
  • 2-クロロ-4-(ヘキシルオキシ)チオ安息香酸S-[4-(ヘキシルオキシ)フェニル]
  • 2-クロロ-4-(ヘキシルオキシ)チオ安息香酸S-[p-(ヘキシルオキシ)フェニル]
  • [2-クロロ-4-(ヘキシルオキシ)フェニル]({[4-(ヘキシルオキシ)フェニル]スルファニル})メタノン
  • [2-chloro-4-(hexyloxy)phenyl]({[4-(hexyloxy)phenyl]sulfanyl})methanone
Other name (2):
  • 2-Chloro-4-(hexyloxy)thiobenzoic acid S-[4-(hexyloxy)phenyl] ester
  • 2-Chloro-4-(hexyloxy)thiobenzoic acid S-[p-(hexyloxy)phenyl] ester
CAS registry number: 62554-42-1
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