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Concept information

organooxygen compound > ether > aromatic ether > methoxybenzenes > /{[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy/}sulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > methoxybenzenes > /{[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy/}sulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > methoxybenzenes > /{[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy/}sulfonic acid

Preferred term

/{[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy/}sulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C13H16O6S

inchi

  • InChI=1S/C13H16O6S/c1-10(9-19-20(15,16)17)13(14)8-5-11-3-6-12(18-2)7-4-11/h3-8,10H,9H2,1-2H3,(H,15,16,17)/b8-5+

inchikey

  • NKFVIZXJXWXONC-VMPITWQZSA-N

mass

  • 300.330

monoisotopicmass

  • 300.06676

smiles

  • S(OCC(C)C(=O)/C=C/C1=CC=C(OC)C=C1)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [(E)-5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-enyl] hydrogen sulate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168821

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