2-[2-(2-methylbutyl)phenyl]-2-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[2-(2-methylbutyl)phenyl]-2-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-benzylsulfanyl-2-[2-(2-methylbutyl)phenyl]propanoic acid CAS Name: 2-[2-(2-methylbutyl)phenyl]-2-(phenylmethylthio)propanoic acid IUPAC Name: 2-benzylsulfanyl-2-[2-(2-methylbutyl)phenyl]propanoic acid Traditional Name: 2-(benzylthio)-2-[2-(2-methylbutyl)phenyl]propionic acid Formula: C21H26O2S MolecularWeight: 342.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=CC=CC=C1C(C)(C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CCC(C)CC1=CC=CC=C1C(C)(C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C21H26O2S/c1-4-16(2)14-18-12-8-9-13-19(18)21(3,20(22)23)24-15-17-10-6-5-7-11-17/h5-13,16H,4,14-15H2,1-3H3,(H,22,23)