3-[(4-bromophenyl)methylsulfonyl]propanoate

Systemtic Name: 3-[(4-bromophenyl)methylsulfonyl]propanoate Openeye Name: 3-[(4-bromophenyl)methylsulfonyl]propanoate CAS Name: 3-[(4-bromophenyl)methylsulfonyl]propanoate IUPAC Name: 3-[(4-bromophenyl)methylsulfonyl]propanoate Traditional Name: 3-(4-bromobenzyl)sulfonylpropionate Formula: C10H10BrO4S- MolecularWeight: 306.153

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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)/p-1