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Concept information

Preferred term

بنزن سولفونات  

Type

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

charge

  • 0

formula

  • C20H25ClN2O5.C6H6O3S
  • C26H31ClN2O8S

inchi

  • InChI=1S/C20H25ClN2O5.C6H6O3S/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9)

inchikey

  • ZPBWCRDSRKPIDG-UHFFFAOYSA-N

mass

  • 567.05100

monoisotopicmass

  • 566.14896

smiles

  • OS(=O)(=O)c1ccccc1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1c1ccccc1Cl)C(=O)OC

subset

  • 3_STAR

synonym EXACT

  • 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate benzenesulfonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2669

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