4-bromanyl-5-chloranylsulfonyl-2-ethyl-benzoic acid

Systemtic Name: 4-bromanyl-5-chloranylsulfonyl-2-ethyl-benzoic acid Openeye Name: 4-bromo-5-chlorosulfonyl-2-ethyl-benzoic acid CAS Name: 4-bromo-5-chlorosulfonyl-2-ethylbenzoic acid IUPAC Name: 4-bromo-5-chlorosulfonyl-2-ethylbenzoic acid Traditional Name: 4-bromo-5-chlorosulfonyl-2-ethyl-benzoic acid Formula: C9H8BrClO4S MolecularWeight: 327.57942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Br

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Br

InChI

InChI=1S/C9H8BrClO4S/c1-2-5-3-7(10)8(16(11,14)15)4-6(5)9(12)13/h3-4H,2H2,1H3,(H,12,13)