4-bromanyl-3-(2-chloranylpropoxy)-2-methylsulfanyl-benzoic acid

Systemtic Name: 4-bromanyl-3-(2-chloranylpropoxy)-2-methylsulfanyl-benzoic acid Openeye Name: 4-bromo-3-(2-chloropropoxy)-2-methylsulfanyl-benzoic acid CAS Name: 4-bromo-3-(2-chloropropoxy)-2-(methylthio)benzoic acid IUPAC Name: 4-bromo-3-(2-chloropropoxy)-2-methylsulfanylbenzoic acid Traditional Name: 4-bromo-3-(2-chloropropoxy)-2-(methylthio)benzoic acid Formula: C11H12BrClO3S MolecularWeight: 339.63318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=CC(=C1SC)C(=O)O)Br)Cl

Isomeric SMILES

CC(COC1=C(C=CC(=C1SC)C(=O)O)Br)Cl

InChI

InChI=1S/C11H12BrClO3S/c1-6(13)5-16-9-8(12)4-3-7(11(14)15)10(9)17-2/h3-4,6H,5H2,1-2H3,(H,14,15)