2-[1-(phenylsulfonyl)propyl]benzoic acid

Systemtic Name: 2-[1-(phenylsulfonyl)propyl]benzoic acid Openeye Name: 2-[1-(benzenesulfonyl)propyl]benzoic acid CAS Name: 2-[1-(benzenesulfonyl)propyl]benzoic acid IUPAC Name: 2-[1-(benzenesulfonyl)propyl]benzoic acid Traditional Name: 2-(1-besylpropyl)benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C1=CC=CC=C1C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O4S/c1-2-15(13-10-6-7-11-14(13)16(17)18)21(19,20)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,17,18)