2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetic acid CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetic acid Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid Formula: C10H11BrO2S MolecularWeight: 275.16214

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)