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

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetate IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetate Formula: C10H10BrO2S- MolecularWeight: 274.1542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)[O-]

InChI

InChI=1S/C10H11BrO2S/c1-6-4-9(14-5-10(12)13)7(2)3-8(6)11/h3-4H,5H2,1-2H3,(H,12,13)/p-1