2-(phenylsulfonylmethyl)pentanoic acid

Systemtic Name: 2-(phenylsulfonylmethyl)pentanoic acid Openeye Name: 2-(benzenesulfonylmethyl)pentanoic acid CAS Name: 2-(benzenesulfonylmethyl)pentanoic acid IUPAC Name: 2-(benzenesulfonylmethyl)pentanoic acid Traditional Name: 2-(besylmethyl)valeric acid Formula: C12H16O4S MolecularWeight: 256.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O4S/c1-2-6-10(12(13)14)9-17(15,16)11-7-4-3-5-8-11/h3-5,7-8,10H,2,6,9H2,1H3,(H,13,14)