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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 > opacaline a

Preferred term

opacaline a  

Type

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

Broader concept

charge

  • 0

formula

  • C20H20BrF6N5O4

has_role

inchi

  • InChI=1S/C16H18BrN5.2C2HF3O2/c17-10-4-5-11-12-6-8-20-13(15(12)22-14(11)9-10)3-1-2-7-21-16(18)19;2*3-2(4,5)1(6)7/h4-6,8-9,22H,1-3,7H2,(H4,18,19,21);2*(H,6,7)

inchikey

  • DODWCDBOSMVLLQ-UHFFFAOYSA-N

mass

  • 588.29800

monoisotopicmass

  • 587.06029

smiles

  • [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.NC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3[nH]c12

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69417

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