4-chloranyl-2-ethyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-ethyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-ethyl-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-ethyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-ethyl-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-2-ethyl-5-mesyl-benzoic acid Formula: C10H11ClO4S MolecularWeight: 262.70994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11ClO4S/c1-3-6-4-8(11)9(16(2,14)15)5-7(6)10(12)13/h4-5H,3H2,1-2H3,(H,12,13)