2-[(3-chlorophenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(3-chlorophenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(3-chlorophenyl)methylsulfonyl]acetic acid CAS Name: 2-[(3-chlorophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(3-chlorophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(3-chlorobenzyl)sulfonylacetic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO4S/c10-8-3-1-2-7(4-8)5-15(13,14)6-9(11)12/h1-4H,5-6H2,(H,11,12)