methyl 3-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3-chloranyl-5-methylsulfonyl-benzoate Openeye Name: methyl 3-chloro-5-methylsulfonyl-benzoate CAS Name: 3-chloro-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-chloro-5-methylsulfonylbenzoate Traditional Name: 3-chloro-5-mesyl-benzoic acid methyl ester Formula: C9H9ClO4S MolecularWeight: 248.68336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C9H9ClO4S/c1-14-9(11)6-3-7(10)5-8(4-6)15(2,12)13/h3-5H,1-2H3