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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > icrt5

Preferred term

icrt5  

Type

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

Broader concept

charge

  • 0

formula

  • C16H17NO5S2

has_role

inchi

  • InChI=1S/C16H17NO5S2/c1-21-11-6-5-10(8-12(11)22-2)9-13-15(20)17(16(23)24-13)7-3-4-14(18)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19)/b13-9-

inchikey

  • IJWKSBPTJQMUHJ-LCYFTJDESA-N

mass

  • 367.430

monoisotopicmass

  • 367.05481

smiles

  • COC=1C=CC(=CC1OC)/C(/[H])=C/2/C(N(CCCC(=O)O)C(=S)S2)=O

subset

  • 2_STAR

synonym EXACT

  • 4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232949

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