[2-bromanyl-3-(phenylsulfonyl)propyl] but-2-ynoate

Systemtic Name: [2-bromanyl-3-(phenylsulfonyl)propyl] but-2-ynoate Openeye Name: [3-(benzenesulfonyl)-2-bromo-propyl] but-2-ynoate CAS Name: 2-butynoic acid [3-(benzenesulfonyl)-2-bromopropyl] ester IUPAC Name: [3-(benzenesulfonyl)-2-bromopropyl] but-2-ynoate Traditional Name: but-2-ynoic acid (3-besyl-2-bromo-propyl) ester Formula: C13H13BrO4S MolecularWeight: 345.20892

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)OCC(CS(=O)(=O)C1=CC=CC=C1)Br

Isomeric SMILES

CC#CC(=O)OCC(CS(=O)(=O)C1=CC=CC=C1)Br

InChI

InChI=1S/C13H13BrO4S/c1-2-6-13(15)18-9-11(14)10-19(16,17)12-7-4-3-5-8-12/h3-5,7-8,11H,9-10H2,1H3