[5-(bromomethyl)quinolin-8-yl] benzenesulfonate

Systemtic Name: [5-(bromomethyl)quinolin-8-yl] benzenesulfonate Openeye Name: [5-(bromomethyl)-8-quinolyl] benzenesulfonate CAS Name: benzenesulfonic acid [5-(bromomethyl)-8-quinolinyl] ester IUPAC Name: [5-(bromomethyl)quinolin-8-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-(bromomethyl)-8-quinolyl] ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)CBr)C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)CBr)C=CC=N3

InChI

InChI=1S/C16H12BrNO3S/c17-11-12-8-9-15(16-14(12)7-4-10-18-16)21-22(19,20)13-5-2-1-3-6-13/h1-10H,11H2