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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > aromatic ether > 4,4,4-trifluoro-1-butanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > 4,4,4-trifluoro-1-butanesulfonic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 4,4,4-trifluoro-1-butanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > 4,4,4-trifluoro-1-butanesulfonic acid

Preferred term

4,4,4-trifluoro-1-butanesulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H13F6NO4S

inchi

  • InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2

inchikey

  • LWUSZIVDPJPVBW-UHFFFAOYSA-N

mass

  • 453.357

monoisotopicmass

  • 453.04695

smiles

  • C1=CC(=CC(=C1)OS(=O)(=O)CCCC(F)(F)F)OC2=CC=CC(=C2C#N)C(F)(F)F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:92339

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