5-(4-methylphenyl)sulfonyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-oxidanylidene-pentanoic acid Openeye Name: 4-oxo-5-(p-tolylsulfonyl)pentanoic acid CAS Name: 5-(4-methylphenyl)sulfonyl-4-oxopentanoic acid IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-oxopentanoic acid Traditional Name: 4-keto-5-tosyl-valeric acid Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CCC(=O)O

InChI

InChI=1S/C12H14O5S/c1-9-2-5-11(6-3-9)18(16,17)8-10(13)4-7-12(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,14,15)