2-[(4-chlorophenyl)methyl]-3-methylsulfonyloxy-propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-methylsulfonyloxy-propanoic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-methylsulfonyloxy-propanoic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-methylsulfonyloxypropanoic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-methylsulfonyloxypropanoic acid Traditional Name: 2-(4-chlorobenzyl)-3-methylsulfonyloxy-propionic acid Formula: C11H13ClO5S MolecularWeight: 292.73592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CC1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCC(CC1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C11H13ClO5S/c1-18(15,16)17-7-9(11(13)14)6-8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3,(H,13,14)