skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > thiophenes > dup 697
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > dup 697
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > dup 697
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > thiophenes > dup 697

Preferred term

dup 697  

Type

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

Broader concept

charge

  • 0

formula

  • C17H12BrFO2S2

inchi

  • InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3

inchikey

  • AJFTZWGGHJXZOB-UHFFFAOYSA-N

mass

  • 411.311

monoisotopicmass

  • 409.94461

smiles

  • CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1

subset

  • 2_STAR

synonym EXACT

  • DuP 697

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4720

Download this concept:

RDF/XML TURTLE JSON-LD