2-[(2,5-dimethoxyphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(2,5-dimethoxyphenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(2,5-dimethoxyphenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(2,5-dimethoxyphenyl)methylthio]benzoic acid IUPAC Name: 2-[(2,5-dimethoxyphenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(2,5-dimethoxybenzyl)thio]benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16O4S/c1-19-12-7-8-14(20-2)11(9-12)10-21-15-6-4-3-5-13(15)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)