2-oxidanyl-4-[2-phenyl-3-(phenylsulfonyl)propoxy]benzoic acid

Systemtic Name: 2-oxidanyl-4-[2-phenyl-3-(phenylsulfonyl)propoxy]benzoic acid Openeye Name: 4-[3-(benzenesulfonyl)-2-phenyl-propoxy]-2-hydroxy-benzoic acid CAS Name: 4-[3-(benzenesulfonyl)-2-phenylpropoxy]-2-hydroxybenzoic acid IUPAC Name: 4-[3-(benzenesulfonyl)-2-phenylpropoxy]-2-hydroxybenzoic acid Traditional Name: 4-(3-besyl-2-phenyl-propoxy)-2-hydroxy-benzoic acid Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(COC2=CC(=C(C=C2)C(=O)O)O)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(COC2=CC(=C(C=C2)C(=O)O)O)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20O6S/c23-21-13-18(11-12-20(21)22(24)25)28-14-17(16-7-3-1-4-8-16)15-29(26,27)19-9-5-2-6-10-19/h1-13,17,23H,14-15H2,(H,24,25)