3-[(4-bromophenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(4-bromophenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(4-bromophenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(4-bromophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(4-bromophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(4-bromobenzyl)sulfonylpropionic acid Formula: C10H11BrO4S MolecularWeight: 307.16094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)CCC(=O)O)Br

InChI

InChI=1S/C10H11BrO4S/c11-9-3-1-8(2-4-9)7-16(14,15)6-5-10(12)13/h1-4H,5-7H2,(H,12,13)