(5-chloranyl-7-iodanyl-quinolin-8-yl) phenylmethanesulfonate

Systemtic Name: (5-chloranyl-7-iodanyl-quinolin-8-yl) phenylmethanesulfonate Openeye Name: (5-chloro-7-iodo-8-quinolyl) phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid (5-chloro-7-iodo-8-quinolyl) ester Formula: C16H11ClINO3S MolecularWeight: 459.68591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I

InChI

InChI=1S/C16H11ClINO3S/c17-13-9-14(18)16(15-12(13)7-4-8-19-15)22-23(20,21)10-11-5-2-1-3-6-11/h1-9H,10H2