3-(4-methoxyphenyl)sulfonyl-3-(4-phenoxyphenyl)propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-3-(4-phenoxyphenyl)propanoic acid Openeye Name: 3-(4-methoxyphenyl)sulfonyl-3-(4-phenoxyphenyl)propanoic acid CAS Name: 3-(4-methoxyphenyl)sulfonyl-3-(4-phenoxyphenyl)propanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfonyl-3-(4-phenoxyphenyl)propanoic acid Traditional Name: 3-(4-methoxyphenyl)sulfonyl-3-(4-phenoxyphenyl)propionic acid Formula: C22H20O6S MolecularWeight: 412.4556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

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