2-(2-methylpropylsulfanyl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(2-methylpropylsulfanyl)-2-phenyl-ethanoic acid Openeye Name: 2-isobutylsulfanyl-2-phenyl-acetic acid CAS Name: 2-(2-methylpropylthio)-2-phenylacetic acid IUPAC Name: 2-(2-methylpropylsulfanyl)-2-phenylacetic acid Traditional Name: 2-(isobutylthio)-2-phenyl-acetic acid Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)CSC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H16O2S/c1-9(2)8-15-11(12(13)14)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)