2-bromanyl-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoic acid

Systemtic Name: 2-bromanyl-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoic acid Openeye Name: 2-bromo-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoic acid CAS Name: 2-bromo-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-bromo-4-ethylsulfonyl-3-(2-methoxyethoxy)benzoic acid Traditional Name: 2-bromo-4-esyl-3-(2-methoxyethoxy)benzoic acid Formula: C12H15BrO6S MolecularWeight: 367.2129

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Br)OCCOC

Isomeric SMILES

CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Br)OCCOC

InChI

InChI=1S/C12H15BrO6S/c1-3-20(16,17)9-5-4-8(12(14)15)10(13)11(9)19-7-6-18-2/h4-5H,3,6-7H2,1-2H3,(H,14,15)