(4S)-4-(phenylsulfonylmethyl)hexanoic acid

Systemtic Name: (4S)-4-(phenylsulfonylmethyl)hexanoic acid Openeye Name: (4S)-4-(benzenesulfonylmethyl)hexanoic acid CAS Name: (4S)-4-(benzenesulfonylmethyl)hexanoic acid IUPAC Name: (4S)-4-(benzenesulfonylmethyl)hexanoic acid Traditional Name: (4S)-4-(besylmethyl)hexanoic acid Formula: C13H18O4S MolecularWeight: 270.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)O)CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@@H](CCC(=O)O)CS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H18O4S/c1-2-11(8-9-13(14)15)10-18(16,17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3,(H,14,15)/t11-/m0/s1