2-(phenylsulfonyl)butanoate

Systemtic Name: 2-(phenylsulfonyl)butanoate Openeye Name: 2-(benzenesulfonyl)butanoate CAS Name: 2-(benzenesulfonyl)butanoate IUPAC Name: 2-(benzenesulfonyl)butanoate Traditional Name: 2-besylbutyrate Formula: C10H11O4S- MolecularWeight: 227.25694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCC(C(=O)[O-])S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H12O4S/c1-2-9(10(11)12)15(13,14)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)/p-1