4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-3-phenoxy-benzoic acid

Systemtic Name: 4-[2-(4-methylphenyl)sulfonylethoxy]-2-oxidanyl-3-phenoxy-benzoic acid Openeye Name: 2-hydroxy-3-phenoxy-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]-3-phenoxybenzoic acid IUPAC Name: 2-hydroxy-4-[2-(4-methylphenyl)sulfonylethoxy]-3-phenoxybenzoic acid Traditional Name: 2-hydroxy-3-phenoxy-4-(2-tosylethoxy)benzoic acid Formula: C22H20O7S MolecularWeight: 428.455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C(=C(C=C2)C(=O)O)O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCOC2=C(C(=C(C=C2)C(=O)O)O)OC3=CC=CC=C3

InChI

InChI=1S/C22H20O7S/c1-15-7-9-17(10-8-15)30(26,27)14-13-28-19-12-11-18(22(24)25)20(23)21(19)29-16-5-3-2-4-6-16/h2-12,23H,13-14H2,1H3,(H,24,25)