2-(carboxymethylsulfanyl)-4,5-dimethoxy-benzoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4,5-dimethoxy-benzoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4,5-dimethoxy-benzoic acid CAS Name: 2-(carboxymethylthio)-4,5-dimethoxybenzoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4,5-dimethoxybenzoic acid Traditional Name: 2-(carboxymethylthio)-4,5-dimethoxy-benzoic acid Formula: C11H12O6S MolecularWeight: 272.27438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O6S/c1-16-7-3-6(11(14)15)9(4-8(7)17-2)18-5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)