2-(3-ethoxyphenyl)sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-(3-ethoxyphenyl)sulfanyl-2-methyl-propanoic acid Openeye Name: 2-(3-ethoxyphenyl)sulfanyl-2-methyl-propanoic acid CAS Name: 2-[(3-ethoxyphenyl)thio]-2-methylpropanoic acid IUPAC Name: 2-(3-ethoxyphenyl)sulfanyl-2-methylpropanoic acid Traditional Name: 2-methyl-2-(m-phenetylthio)propionic acid Formula: C12H16O3S MolecularWeight: 240.31864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SC(C)(C)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC=C1)SC(C)(C)C(=O)O

InChI

InChI=1S/C12H16O3S/c1-4-15-9-6-5-7-10(8-9)16-12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)