CHEBI:109055 - 4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester

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ChEBI Name 4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester
ChEBI ID CHEBI:109055
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C14H18O5S
Net Charge 0
Average Mass 298.356
Monoisotopic Mass 298.08749
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
SMILES CC1=CC=C(C=C1)S(=O)(=O)C2(CCOCC2)C(=O)OC
ChEBI Ontology
Outgoing 4-(4-methylphenyl)sulfonyl-4-oxanecarboxylic acid methyl ester (CHEBI:109055) is a sulfonic acid derivative (CHEBI:33552)
Manual Xref Database
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