3-methyl-2-[2-(phenylmethyl)sulfinylethyl]butanoic acid

Systemtic Name: 3-methyl-2-[2-(phenylmethyl)sulfinylethyl]butanoic acid Openeye Name: 2-(2-benzylsulfinylethyl)-3-methyl-butanoic acid CAS Name: 3-methyl-2-[2-(phenylmethyl)sulfinylethyl]butanoic acid IUPAC Name: 2-(2-benzylsulfinylethyl)-3-methylbutanoic acid Traditional Name: 2-(2-benzylsulfinylethyl)-3-methyl-butyric acid Formula: C14H20O3S MolecularWeight: 268.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCS(=O)CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)C(CCS(=O)CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H20O3S/c1-11(2)13(14(15)16)8-9-18(17)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)