(2-bromanyl-1-deuterio-1-phenyl-ethyl) benzenesulfonate

Systemtic Name: (2-bromanyl-1-deuterio-1-phenyl-ethyl) benzenesulfonate Openeye Name: (2-bromo-1-deuterio-1-phenyl-ethyl) benzenesulfonate CAS Name: benzenesulfonic acid (2-bromo-1-deuterio-1-phenylethyl) ester IUPAC Name: (2-bromo-1-deuterio-1-phenylethyl) benzenesulfonate Traditional Name: benzenesulfonic acid (2-bromo-1-deuterio-1-phenyl-ethyl) ester Formula: C14H13BrO3S MolecularWeight: 342.226382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CBr)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

[2H]C(CBr)(C1=CC=CC=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H13BrO3S/c15-11-14(12-7-3-1-4-8-12)18-19(16,17)13-9-5-2-6-10-13/h1-10,14H,11H2/i14D