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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > rac-3'-hydroxy-n,n-dimethylcoclaurinium trifluoroacetate

Preferred term

rac-3'-hydroxy-n,n-dimethylcoclaurinium trifluoroacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H24F3NO6

has_role

inchi

  • InChI=1S/C19H23NO4.C2HF3O2/c1-20(2)7-6-13-10-19(24-3)18(23)11-14(13)15(20)8-12-4-5-16(21)17(22)9-12;3-2(4,5)1(6)7/h4-5,9-11,15H,6-8H2,1-3H3,(H2-,21,22,23);(H,6,7)

inchikey

  • LJXVHGCCIANZFC-UHFFFAOYSA-N

mass

  • 443.41360

monoisotopicmass

  • 443.15557

smiles

  • [O-]C(=O)C(F)(F)F.COc1cc2CC[N+](C)(C)C(Cc3ccc(O)c(O)c3)c2cc1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68902

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