2-(4-methoxy-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: 2-(4-methoxy-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: 2-(4-methoxy-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-methoxy-2,5-dimethylphenyl)thio]acetate IUPAC Name: 2-(4-methoxy-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-methoxy-2,5-dimethyl-phenyl)thio]acetate Formula: C11H13O3S- MolecularWeight: 225.28412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCC(=O)[O-])C)OC

Isomeric SMILES

CC1=CC(=C(C=C1SCC(=O)[O-])C)OC

InChI

InChI=1S/C11H14O3S/c1-7-5-10(15-6-11(12)13)8(2)4-9(7)14-3/h4-5H,6H2,1-3H3,(H,12,13)/p-1