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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-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate

Preferred term

rac-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H22F3NO6

has_role

inchi

  • InChI=1S/C19H21NO4.C2HF3O2/c1-20(2)5-4-10-8-16(24-3)19(23)18-12-9-15(22)14(21)7-11(12)6-13(20)17(10)18;3-2(4,5)1(6)7/h7-9,13H,4-6H2,1-3H3,(H2-,21,22,23);(H,6,7)

inchikey

  • VFLFCPDJEDTJAC-UHFFFAOYSA-N

mass

  • 441.39770

monoisotopicmass

  • 441.13992

smiles

  • [O-]C(=O)C(F)(F)F.COc1cc2CC[N+](C)(C)C3Cc4cc(O)c(O)cc4-c(c1O)c23

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68903

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