Chem
J-GLOBAL ID:200907092236045562
Nikkaji number:J330.342J
2-[4-(2-Thienylcarbonyl)(2,3,5,6-2 H4 )phenyl](3,3,3-2 H3 )propanoic acid
2-[4-(2-チエニルカルボニル)(2,3,5,6-2 H4 )フェニル](3,3,3-2 H3 )プロパン酸
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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:
C14 H5 [2 H]7 O3 S
Molecular formula furigana:
C14-H12-O3-S
Molecular weight:
267.350
InChI:
InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/i1D3,4D,5D,6D,7D
InChI key:
MDKGKXOCJGEUJW-DDIXUHJNSA-N
SMILES:
c1([2H])c([2H])c(c([2H])c([2H])c1C(C(=O)O)C([2H])([2H])[2H])C(=O)c1cccs1
Systematic name (3):
2-[4-(2-チエニルカルボニル)(2,3,5,6-2 H4 )フェニル](3,3,3-2 H3 )プロパン酸
2-[4-(チオフェン-2-カルボニル)(2,3,5,6-2 H4 )フェニル](3,3,3-2 H3 )プロパン酸
2-[4-(thiophene-2-carbonyl)(2,3,5,6-2 H4 )phenyl](3,3,3-2 H3 )propanoic acid
Other name (1):
2-[4-(2-Thienylcarbonyl)(2,3,5,6-2 H4 )phenyl](3,3,3-2 H3 )propanoic acid
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