3-(2,6-dimethoxyphenyl)carbonylsulfanylpropanoic acid

Systemtic Name: 3-(2,6-dimethoxyphenyl)carbonylsulfanylpropanoic acid Openeye Name: 3-(2,6-dimethoxybenzoyl)sulfanylpropanoic acid CAS Name: 3-[[(2,6-dimethoxyphenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 3-(2,6-dimethoxybenzoyl)sulfanylpropanoic acid Traditional Name: 3-[(2,6-dimethoxybenzoyl)thio]propionic acid Formula: C12H14O5S MolecularWeight: 270.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)SCCC(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)SCCC(=O)O

InChI

InChI=1S/C12H14O5S/c1-16-8-4-3-5-9(17-2)11(8)12(15)18-7-6-10(13)14/h3-5H,6-7H2,1-2H3,(H,13,14)