5-phenyl-2-(phenylsulfonyl)pentanoic acid

Systemtic Name: 5-phenyl-2-(phenylsulfonyl)pentanoic acid Openeye Name: 2-(benzenesulfonyl)-5-phenyl-pentanoic acid CAS Name: 2-(benzenesulfonyl)-5-phenylpentanoic acid IUPAC Name: 2-(benzenesulfonyl)-5-phenylpentanoic acid Traditional Name: 2-besyl-5-phenyl-valeric acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c18-17(19)16(13-7-10-14-8-3-1-4-9-14)22(20,21)15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,7,10,13H2,(H,18,19)