2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid

Systemtic Name: 2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid Openeye Name: 2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid CAS Name: 2-(methylthio)-2-(3-phenoxyphenyl)propanoic acid IUPAC Name: 2-methylsulfanyl-2-(3-phenoxyphenyl)propanoic acid Traditional Name: 2-(methylthio)-2-(3-phenoxyphenyl)propionic acid Formula: C16H16O3S MolecularWeight: 288.36144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)(C(=O)O)SC

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=CC=C2)(C(=O)O)SC

InChI

InChI=1S/C16H16O3S/c1-16(20-2,15(17)18)12-7-6-10-14(11-12)19-13-8-4-3-5-9-13/h3-11H,1-2H3,(H,17,18)