4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[4-(p-tolylsulfonylmethyl)phenyl]methoxy]benzoic acid CAS Name: 2-hydroxy-4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]benzoic acid Traditional Name: 2-hydroxy-4-[4-(tosylmethyl)benzyl]oxy-benzoic acid Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)COC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)COC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C22H20O6S/c1-15-2-9-19(10-3-15)29(26,27)14-17-6-4-16(5-7-17)13-28-18-8-11-20(22(24)25)21(23)12-18/h2-12,23H,13-14H2,1H3,(H,24,25)