Chem
J-GLOBAL ID：200907070665914427   Nikkaji number：J795.507C

(6S,7S)-1,3-Tetradecadiyne-6,7-diol 7-(4-methylbenzenesulfonate)

(6S,7S)-1,3-テトラデカジイン-6,7-ジオール7-(4-メチルベンゼンスルホナート)
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： C21H28O4S
Molecular formula furigana： C21-H28-O4-S
Molecular weight： 376.510
InChI： InChI=1S/C21H28O4S/c1-4-6-8-9-11-13-21(20(22)12-10-7-5-2)25-26(23,24)19-16-14-18(3)15-17-19/h2,14-17,20-22H,4,6,8-9,11-13H2,1,3H3/t20-,21-/m0/s1
InChI key： ZKUMIPATMIAQSV-SFTDATJTSA-N
SMILES： CCCCCCC[C@H](OS(=O)(=O)c1ccc(C)cc1)[C@@H](O)CC#CC#C
Systematic name  (3)：
  • (6S,7S)-1,3-テトラデカジイン-6,7-ジオール7-(4-メチルベンゼンスルホナート)
  • (6S,7S)-7-[(4-メチルベンゼンスルホニル)オキシ]テトラデカ-1,3-ジイン-6-オール
  • (6S,7S)-7-[(4-methylbenzenesulfonyl)oxy]tetradeca-1,3-diyn-6-ol
Other name (1)：
  • (6S,7S)-1,3-Tetradecadiyne-6,7-diol 7-(4-methylbenzenesulfonate)
Thsaurus map：
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