2-(4-methylphenyl)sulfinyl-3-oxidanyl-3-(4-phenoxyphenyl)propanoate

Systemtic Name: 2-(4-methylphenyl)sulfinyl-3-oxidanyl-3-(4-phenoxyphenyl)propanoate Openeye Name: 3-hydroxy-3-(4-phenoxyphenyl)-2-(p-tolylsulfinyl)propanoate CAS Name: 3-hydroxy-2-(4-methylphenyl)sulfinyl-3-(4-phenoxyphenyl)propanoate IUPAC Name: 3-hydroxy-2-(4-methylphenyl)sulfinyl-3-(4-phenoxyphenyl)propanoate Traditional Name: 3-hydroxy-3-(4-phenoxyphenyl)-2-(p-tolylsulfinyl)propionate Formula: C22H19O5S- MolecularWeight: 395.44826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C(C(C2=CC=C(C=C2)OC3=CC=CC=C3)O)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)C(C(C2=CC=C(C=C2)OC3=CC=CC=C3)O)C(=O)[O-]

InChI

InChI=1S/C22H20O5S/c1-15-7-13-19(14-8-15)28(26)21(22(24)25)20(23)16-9-11-18(12-10-16)27-17-5-3-2-4-6-17/h2-14,20-21,23H,1H3,(H,24,25)/p-1