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Concept information

Preferred term

LSM 16348  

Type

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

Broader concept

charge

  • +1

formula

  • C28H29ClN3O3S

inchi

  • InChI=1S/C28H28ClN3O3S/c1-5-15-31-17-32(23-12-7-6-11-22(23)31)26(28(36)30-21-10-8-9-20(29)18(21)2)27(33)19-13-14-24(34-3)25(16-19)35-4/h6-14,16-17,26H,5,15H2,1-4H3/p+1

inchikey

  • KDKYHLKGBVCGMU-UHFFFAOYSA-O

mass

  • 523.068

monoisotopicmass

  • 522.16127

smiles

  • CCC[N+]1=CN(C2=CC=CC=C21)C(C(=O)C3=CC(=C(C=C3)OC)OC)C(=S)NC4=C(C(=CC=C4)Cl)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104985

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