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Concept information

Preferred term

2-/{4-[(2-aminophenyl)thio]-3-nitrobenzoyl/}benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C20H14N2O5S

inchi

  • InChI=1S/C20H14N2O5S/c21-15-7-3-4-8-17(15)28-18-10-9-12(11-16(18)22(26)27)19(23)13-5-1-2-6-14(13)20(24)25/h1-11H,21H2,(H,24,25)

inchikey

  • UBMAWPQLLCCKAM-UHFFFAOYSA-N

mass

  • 394.400

monoisotopicmass

  • 394.06234

smiles

  • S(C1=C([N+]([O-])=O)C=C(C(=O)C=2C(=CC=CC2)C(O)=O)C=C1)C=3C(N)=CC=CC3

subset

  • 2_STAR

synonym EXACT

  • 2-[4-(2-aminophenyl)sulanyl-3-nitrobenzoyl]benzoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183690

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