Chem
J-GLOBAL ID：200907036421804316
Nikkaji number：J2.670.377H
Butiin
ブチイン
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： C7H15NO3S
Molecular formula furigana： C7-H15-N-O3-S
Molecular weight： 193.260
InChI：
InChI=1S/C7H15NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)/t6-,12?/m1/s1
InChI key：
CBFHOPPJBYHALQ-ZJGHLTBISA-N
SMILES：
CCCCS(=O)C[C@@H](N)C(=O)O
Systematic name (3)：
- ブチル[(S)-2-アミノ-2-カルボキシエチル]スルホキシド
- (2S)-2-アミノ-3-(ブタン-1-スルフィニル)プロパン酸
- (2S)-2-amino-3-(butane-1-sulfinyl)propanoic acid
- Butyl[(S)-2-amino-2-carboxyethyl] sulfoxide
- ブチイン
- Butiin
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