Chem
J-GLOBAL ID：200907000204326304   Nikkaji number：J1.409.358C

(2R)-2α-Methyl-2-(2-mercaptoethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroindan-4α-carboxylic acid

(2R)-2α-メチル-2-(2-メルカプトエチル)-1,3-ジオキソ-3a,4,7,7a-テトラヒドロインダン-4α-カルボン酸
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： C13H16O4S
Molecular formula furigana： C13-H16-O4-S
Molecular weight： 268.330
InChI： InChI=1S/C13H16O4S/c1-13(5-6-18)10(14)7-3-2-4-8(12(16)17)9(7)11(13)15/h2,4,7-9,18H,3,5-6H2,1H3,(H,16,17)/t7?,8-,9?,13-/m1/s1
InChI key： VRIZJUMECZHOLS-IZUPVCDHSA-N
SMILES： C[C@@]1(CCS)C(=O)C2CC=C[C@H](C2C1=O)C(=O)O
Systematic name  (3)：
  • (2R)-2α-メチル-2-(2-メルカプトエチル)-1,3-ジオキソ-3a,4,7,7a-テトラヒドロインダン-4α-カルボン酸
  • (2R,4R)-2-メチル-1,3-ジオキソ-2-(2-スルファニルエチル)-2,3,3a,4,7,7a-ヘキサヒドロ-1H-インデン-4-カルボン酸
  • (2R,4R)-2-methyl-1,3-dioxo-2-(2-sulfanylethyl)-2,3,3a,4,7,7a-hexahydro-1H-indene-4-carboxylic acid
Other name (1)：
  • (2R)-2α-Methyl-2-(2-mercaptoethyl)-1,3-dioxo-3a,4,7,7a-tetrahydroindan-4α-carboxylic acid
Thsaurus map：
Thesaurus Map

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