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Chemistry, part 1

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > aromatic carboxylic acid > benzoic acids > 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
... > organooxygen compound > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > aromatic carboxylic acid > benzoic acids > 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid
organic aromatic compound > aromatic carboxylic acid > benzoic acids > 3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid

Preferred term

3-[[[5-(phenylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C17H14N2O3S

inchi

  • InChI=1S/C17H14N2O3S/c20-16(21)14-8-4-7-13(9-14)11-23-17-19-18-15(22-17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)

inchikey

  • MRFYYQYSTHLYGO-UHFFFAOYSA-N

mass

  • 326.371

monoisotopicmass

  • 326.07251

smiles

  • C1=CC=C(C=C1)CC2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:123428

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