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Chemistry, part 1

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Concept information

organooxygen compound > p-nitrobenzoate

Preferred term

p-nitrobenzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C28H29NO10

has_functional_parent

inchi

  • InChI=1S/C28H29NO10/c1-3-5-7-16-13-19-23(28(34)39-25(19)31)18(14-20-22(16)27(33)38-26(20)32)21(8-6-4-2)37-24(30)15-9-11-17(12-10-15)29(35)36/h9-12,16,18,21H,3-8,13-14H2,1-2H3/t16-,18+,21-/m1/s1

inchikey

  • RHZNXHJLYYEIDG-PLMTUMEDSA-N

mass

  • 539.537

monoisotopicmass

  • 539.17915

smiles

  • O=[N+]([O-])C1=CC=C(C(=O)O[C@@H]([C@H]2C=3C(=O)OC(C3C[C@@H](CCCC)C4=C(C2)C(=O)OC4=O)=O)CCCC)C=C1

subset

  • 2_STAR

synonym EXACT

  • [(1R)-1-[(2R,9R)-9-butyl-5,7,12,14-tetraoxo-6,13-dioxatricyclo[9.3.0.04,8]tetradeca-1(11),4(8)-dien-2-yl]pentyl] 4-nitrobenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:213403

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