5-phenyl-2-(phenylsulfonylmethyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(phenylsulfonylmethyl)pentanoic acid Openeye Name: 2-(benzenesulfonylmethyl)-5-phenyl-pentanoic acid CAS Name: 2-(benzenesulfonylmethyl)-5-phenylpentanoic acid IUPAC Name: 2-(benzenesulfonylmethyl)-5-phenylpentanoic acid Traditional Name: 2-(besylmethyl)-5-phenyl-valeric acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(CS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O4S/c19-18(20)16(11-7-10-15-8-3-1-4-9-15)14-23(21,22)17-12-5-2-6-13-17/h1-6,8-9,12-13,16H,7,10-11,14H2,(H,19,20)