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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > coumarins > 4-[(4-methylphenyl)thio]-3-nitro-1-benzopyran-2-one

Preferred term

4-[(4-methylphenyl)thio]-3-nitro-1-benzopyran-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C16H11NO4S

inchi

  • InChI=1S/C16H11NO4S/c1-10-6-8-11(9-7-10)22-15-12-4-2-3-5-13(12)21-16(18)14(15)17(19)20/h2-9H,1H3

inchikey

  • AYTFWRLTLWWBCW-UHFFFAOYSA-N

mass

  • 313.330

monoisotopicmass

  • 313.04088

smiles

  • CC1=CC=C(C=C1)SC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94171

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