2-(3,4-dimethoxyphenyl)sulfanylethanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanylethanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanylacetic acid CAS Name: 2-[(3,4-dimethoxyphenyl)thio]acetic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanylacetic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]acetic acid Formula: C10H12O4S MolecularWeight: 228.26488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)O)OC

InChI

InChI=1S/C10H12O4S/c1-13-8-4-3-7(5-9(8)14-2)15-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)