3-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(2-methoxy-2-oxidanylidene-ethyl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(2-methoxy-2-oxo-ethyl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(2-methoxy-2-oxoethyl)thio]methyl]benzoic acid IUPAC Name: 3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(2-keto-2-methoxy-ethyl)thio]methyl]benzoic acid Formula: C11H12O4S MolecularWeight: 240.27558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

COC(=O)CSCC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C11H12O4S/c1-15-10(12)7-16-6-8-3-2-4-9(5-8)11(13)14/h2-5H,6-7H2,1H3,(H,13,14)