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Chemistry, part 1

Content language

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Concept information

organooxygen compound > [(2r,3r,4s,5r,6r)-3,4,5-triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate

Preferred term

[(2r,3r,4s,5r,6r)-3,4,5-triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-oxo-6-pyridin-2-ylpyridin-1-yl]oxan-2-yl]methyl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C31H28ClN3O10

has_functional_parent

has_role

inchi

  • InChI=1S/C31H28ClN3O10/c1-16(36)41-15-26-27(42-17(2)37)28(43-18(3)38)29(44-19(4)39)31(45-26)35-25(24-7-5-6-12-34-24)13-22(23(14-33)30(35)40)20-8-10-21(32)11-9-20/h5-13,26-29,31H,15H2,1-4H3/t26-,27-,28+,29-,31-/m1/s1

inchikey

  • LFPHQWJKQSFZFF-PAVKSNICSA-N

mass

  • 638.030

monoisotopicmass

  • 637.14632

smiles

  • C(C1=C(C=C(N(C1=O)[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O2)COC(C)=O)C=3C=CC=CN3)C=4C=CC(=CC4)Cl)#N

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149898

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