5-bromanyl-2-(2-oxidanylidenepropylsulfanyl)benzoic acid

Systemtic Name: 5-bromanyl-2-(2-oxidanylidenepropylsulfanyl)benzoic acid Openeye Name: 2-acetonylsulfanyl-5-bromo-benzoic acid CAS Name: 5-bromo-2-(2-oxopropylthio)benzoic acid IUPAC Name: 5-bromo-2-(2-oxopropylsulfanyl)benzoic acid Traditional Name: 2-(acetonylthio)-5-bromo-benzoic acid Formula: C10H9BrO3S MolecularWeight: 289.14566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(=O)CSC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C10H9BrO3S/c1-6(12)5-15-9-3-2-7(11)4-8(9)10(13)14/h2-4H,5H2,1H3,(H,13,14)