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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 > prt382

Preferred term

prt382  

Type

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

Broader concept

charge

  • 0

formula

  • C18H18Cl2N4O5

inchi

  • InChI=1S/C18H18Cl2N4O5/c1-28-23-16-9-4-5-24(17(9)22-7-21-16)18-14(27)13(26)15(29-18)12(25)8-2-3-10(19)11(20)6-8/h2-7,12-15,18,25-27H,1H3,(H,21,22,23)/t12?,13-,14+,15+,18+/m0/s1

inchikey

  • KQQVFXIBOQCHBA-JJSXZHHUSA-N

mass

  • 441.270

monoisotopicmass

  • 440.06543

smiles

  • C1=C(C(=CC=C1C(O)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C=C3)/C(/N=CN4)=N/OC)O)O)Cl)Cl

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231664

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