2-(4-methylphenyl)sulfonylpentanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonylpentanoic acid Openeye Name: 2-(p-tolylsulfonyl)pentanoic acid CAS Name: 2-(4-methylphenyl)sulfonylpentanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonylpentanoic acid Traditional Name: 2-tosylvaleric acid Formula: C12H16O4S MolecularWeight: 256.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C12H16O4S/c1-3-4-11(12(13)14)17(15,16)10-7-5-9(2)6-8-10/h5-8,11H,3-4H2,1-2H3,(H,13,14)