Chem
J-GLOBAL ID：200907029188716316
Nikkaji number：J1.318.227B
(1S,3R)-1-Mercapto-1-phenylundecane-3-ol
(1S,3R)-1-メルカプト-1-フェニルウンデカン-3-オール
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
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
Molecular formula： C17H28OS
Molecular formula furigana： C17-H28-O-S
Molecular weight： 280.470
InChI：
InChI=1S/C17H28OS/c1-2-3-4-5-6-10-13-16(18)14-17(19)15-11-8-7-9-12-15/h7-9,11-12,16-19H,2-6,10,13-14H2,1H3/t16-,17+/m1/s1
InChI key：
XHPLWNPITTYGDE-SJORKVTESA-N
SMILES：
CCCCCCCC[C@@H](O)C[C@H](S)c1ccccc1
Systematic name (3)：
- (1S,3R)-1-メルカプト-1-フェニルウンデカン-3-オール
- (1S,3R)-1-フェニル-1-スルファニルウンデカン-3-オール
- (1S,3R)-1-phenyl-1-sulfanylundecan-3-ol
- (1S,3R)-1-Mercapto-1-phenylundecane-3-ol
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