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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cp-114271
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cp-114271
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > cp-114271
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > cp-114271

Preferred term

cp-114271  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H19F3N2O4S

inchi

  • InChI=1S/C17H19F3N2O4S/c1-10(6-11-2-4-12(5-3-11)26-8-15(24)25)21-7-14(23)13-9-27-16(22-13)17(18,19)20/h2-5,9-10,14,21,23H,6-8H2,1H3,(H,24,25)/t10-,14+/m1/s1

inchikey

  • YVIXXPCJZAUQHJ-YGRLFVJLSA-N

mass

  • 404.400

monoisotopicmass

  • 404.10176

smiles

  • S1C=C(N=C1C(F)(F)F)[C@@H](O)CN[C@@H](CC2=CC=C(OCC(O)=O)C=C2)C

subset

  • 2_STAR

synonym EXACT

  • 2-[4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(triluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]phenoxy]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167796

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