Chem
J-GLOBAL ID：200907043917505250
Nikkaji number：J1.378.956H
4-Mercaptoisophthalic acid
4-メルカプトイソフタル酸
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： C8H6O4S
Molecular formula furigana： C8-H6-O4-S
Molecular weight： 198.190
InChI：
InChI=1S/C8H6O4S/c9-7(10)4-1-2-6(13)5(3-4)8(11)12/h1-3,13H,(H,9,10)(H,11,12)
InChI key：
GEYGOJBLTAKAFS-UHFFFAOYSA-N
SMILES：
OC(=O)c1ccc(S)c(c1)C(=O)O
Systematic name (3)：
- 4-メルカプトイソフタル酸
- 4-スルファニルベンゼン-1,3-ジカルボン酸
- 4-sulfanylbenzene-1,3-dicarboxylic acid
- 4-Mercaptoisophthalic acid
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