2-bromanyl-5-[(E)-3-chloranylprop-2-enyl]sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-[(E)-3-chloranylprop-2-enyl]sulfonyl-benzoic acid Openeye Name: 2-bromo-5-[(E)-3-chloroallyl]sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(E)-3-chloroprop-2-enyl]sulfonylbenzoic acid IUPAC Name: 2-bromo-5-[(E)-3-chloroprop-2-enyl]sulfonylbenzoic acid Traditional Name: 2-bromo-5-[(E)-3-chloroallyl]sulfonyl-benzoic acid Formula: C10H8BrClO4S MolecularWeight: 339.59012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CC=CCl)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C/C=C/Cl)C(=O)O)Br

InChI

InChI=1S/C10H8BrClO4S/c11-9-3-2-7(6-8(9)10(13)14)17(15,16)5-1-4-12/h1-4,6H,5H2,(H,13,14)/b4-1+