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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > methyl 4-/{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl/}-2,5-dimethyl-1h-pyrrole-3-carboxylate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > methyl 4-/{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl/}-2,5-dimethyl-1h-pyrrole-3-carboxylate

Preferred term

methyl 4-/{2-cyano-2-[(4-methylphenyl)sulfonyl]vinyl/}-2,5-dimethyl-1h-pyrrole-3-carboxylate  

Type

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

Broader concept

charge

  • 0

formula

  • C18H18N2O4S

inchi

  • InChI=1S/C18H18N2O4S/c1-11-5-7-14(8-6-11)25(22,23)15(10-19)9-16-12(2)20-13(3)17(16)18(21)24-4/h5-9,20H,1-4H3

inchikey

  • FUWFYOBIXNVJAA-UHFFFAOYSA-N

mass

  • 358.410

monoisotopicmass

  • 358.09873

smiles

  • S(=O)(=O)(C(=CC1=C(NC(=C1C(OC)=O)C)C)C#N)C2=CC=C(C=C2)C

subset

  • 2_STAR

synonym EXACT

  • methyl 4-[2-cyano-2-(4-methylphenyl)sulonylethenyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189514

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