Chem
J-GLOBAL ID：200907026806214450   Nikkaji number：J1.216.035F

2-[(3,7,11-Trimethyl-2,6,10-dodecatrienyl)thio]benzoic acid

2-[(3,7,11-トリメチル-2,6,10-ドデカトリエニル)チオ]安息香酸
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： C22H30O2S
Molecular formula furigana： C22-H30-O2-S
Molecular weight： 358.540
InChI： InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)
InChI key： WUILNKCFCLNXOK-UHFFFAOYSA-N
SMILES： CC(=CCCC(=CCCC(=CCSc1ccccc1C(=O)O)C)C)C
Systematic name  (3)：
  • 2-[(3,7,11-トリメチル-2,6,10-ドデカトリエニル)チオ]安息香酸
  • 2-[(3,7,11-トリメチルドデカ-2,6,10-トリエン-1-イル)スルファニル]安息香酸
  • 2-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid
Other name (1)：
  • 2-[(3,7,11-Trimethyl-2,6,10-dodecatrienyl)thio]benzoic acid
CAS registry number： 166445-40-5
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