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Chemistry, part 1

Content language

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Concept information

organooxygen compound > 1,6-di-o-acetyl-2,5-bis-o-(2-isocyano-3-methyl-2-butenoyl)-d-mannitol

Preferred term

1,6-di-o-acetyl-2,5-bis-o-(2-isocyano-3-methyl-2-butenoyl)-d-mannitol  

Type

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

Broader concept

charge

  • 0

formula

  • C22H28N2O10

has_functional_parent

inchi

  • InChI=1S/C22H28N2O10/c1-11(2)17(23-7)21(29)33-15(9-31-13(5)25)19(27)20(28)16(10-32-14(6)26)34-22(30)18(24-8)12(3)4/h15-16,19-20,27-28H,9-10H2,1-6H3/t15-,16-,19-,20-/m1/s1

inchikey

  • XQBSOXRYXYNGRH-XNFNUYLZSA-N

mass

  • 480.470

monoisotopicmass

  • 480.17440

smiles

  • O[C@@H]([C@H](O)[C@H](OC(=O)C([N+]#[C-])=C(C)C)COC(=O)C)[C@H](OC(=O)C([N+]#[C-])=C(C)C)COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4S,5R)-1,6-diacetyloxy-3,4-dihydroxy-5-(2-isocyano-3-methylbut-2-enoyl)oxyhexan-2-yl] 2-isocyano-3-methylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188585

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