Chem
J-GLOBAL ID：200907048048856660
Nikkaji number：J1.318.768A
Benzenesulfonic acid 4-methylphenyl ester
ベンゼンスルホン酸4-メチルフェニル
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： C13H12O3S
Molecular formula furigana： C13-H12-O3-S
Molecular weight： 248.300
InChI：
InChI=1S/C13H12O3S/c1-11-7-9-12(10-8-11)16-17(14,15)13-5-3-2-4-6-13/h2-10H,1H3
InChI key：
RQYYUHGXOAMYAL-UHFFFAOYSA-N
SMILES：
Cc1ccc(OS(=O)(=O)c2ccccc2)cc1
Systematic name (3)：
- ベンゼンスルホン酸4-メチルフェニル
- 4-メチルフェニル ベンゼンスルホナート
- 4-methylphenyl benzenesulfonate
- Benzenesulfonic acid 4-methylphenyl ester
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