4-chloranyl-3-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-3-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-3-methylsulfonyl-benzoic acid CAS Name: 4-chloro-3-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-3-methylsulfonylbenzoic acid Traditional Name: 4-chloro-3-mesyl-benzoic acid Formula: C8H7ClO4S MolecularWeight: 234.65678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C8H7ClO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)