2-[3-(4-methylsulfanylphenyl)carbonylphenyl]propanoic acid

Systemtic Name: 2-[3-(4-methylsulfanylphenyl)carbonylphenyl]propanoic acid Openeye Name: 2-[3-(4-methylsulfanylbenzoyl)phenyl]propanoic acid CAS Name: 2-[3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]propanoic acid IUPAC Name: 2-[3-(4-methylsulfanylbenzoyl)phenyl]propanoic acid Traditional Name: 2-[3-[4-(methylthio)benzoyl]phenyl]propionic acid Formula: C17H16O3S MolecularWeight: 300.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3S/c1-11(17(19)20)13-4-3-5-14(10-13)16(18)12-6-8-15(21-2)9-7-12/h3-11H,1-2H3,(H,19,20)