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

Systemtic Name: 4-[2-(4-methylphenyl)sulfonylethoxy]-2-phenoxy-benzoic acid Openeye Name: 2-phenoxy-4-[2-(p-tolylsulfonyl)ethoxy]benzoic acid CAS Name: 4-[2-(4-methylphenyl)sulfonylethoxy]-2-phenoxybenzoic acid IUPAC Name: 4-[2-(4-methylphenyl)sulfonylethoxy]-2-phenoxybenzoic acid Traditional Name: 2-phenoxy-4-(2-tosylethoxy)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)CCOC2=CC(=C(C=C2)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

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

InChI

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