[1-(4-bromophenyl)-4-methylsulfonyloxy-but-2-ynyl] benzoate

Systemtic Name: [1-(4-bromophenyl)-4-methylsulfonyloxy-but-2-ynyl] benzoate Openeye Name: [1-(4-bromophenyl)-4-methylsulfonyloxy-but-2-ynyl] benzoate CAS Name: benzoic acid [1-(4-bromophenyl)-4-methylsulfonyloxybut-2-ynyl] ester IUPAC Name: [1-(4-bromophenyl)-4-methylsulfonyloxybut-2-ynyl] benzoate Traditional Name: benzoic acid [1-(4-bromophenyl)-4-methylsulfonyloxy-but-2-ynyl] ester Formula: C18H15BrO5S MolecularWeight: 423.2777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC#CC(C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)OCC#CC(C1=CC=C(C=C1)Br)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H15BrO5S/c1-25(21,22)23-13-5-8-17(14-9-11-16(19)12-10-14)24-18(20)15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,13H2,1H3