2-methyl-2-phenethylsulfinyl-propanoic acid

Systemtic Name: 2-methyl-2-phenethylsulfinyl-propanoic acid Openeye Name: 2-methyl-2-phenethylsulfinyl-propanoic acid CAS Name: 2-methyl-2-phenethylsulfinylpropanoic acid IUPAC Name: 2-methyl-2-phenethylsulfinylpropanoic acid Traditional Name: 2-methyl-2-phenethylsulfinyl-propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)S(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)O)S(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C12H16O3S/c1-12(2,11(13)14)16(15)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14)