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Chemistry, part 3

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 > denatonium benzoate

Preferred term

denatonium benzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H28N2O.C7H6O2

inchi

  • InChI=1S/C21H28N2O.C7H6O2/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;8-7(9)6-4-2-1-3-5-6/h7-14H,5-6,15-16H2,1-4H3;1-5H,(H,8,9)

inchikey

  • VWTINHYPRWEBQY-UHFFFAOYSA-N

mass

  • 446.591

monoisotopicmass

  • 446.25694

smiles

  • CC[N+](CC)(CC1=CC=CC=C1)C/C(=N/C2=C(C)C=CC=C2C)/[O-].C1=CC=C(C=C1)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232400

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