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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 > 4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > 4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester

Preferred term

4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C14H18O5S

inchi

  • InChI=1S/C14H18O5S/c1-11-3-5-12(6-4-11)20(16,17)14(13(15)18-2)7-9-19-10-8-14/h3-6H,7-10H2,1-2H3

inchikey

  • LMWFDNMZTICDIT-UHFFFAOYSA-N

mass

  • 298.356

monoisotopicmass

  • 298.08749

smiles

  • CC1=CC=C(C=C1)S(=O)(=O)C2(CCOCC2)C(=O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109055

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