(5-chloranyl-7-iodanyl-quinolin-8-yl) 2,3-dimethylbenzenesulfonate

Systemtic Name: (5-chloranyl-7-iodanyl-quinolin-8-yl) 2,3-dimethylbenzenesulfonate Openeye Name: (5-chloro-7-iodo-8-quinolyl) 2,3-dimethylbenzenesulfonate CAS Name: 2,3-dimethylbenzenesulfonic acid (5-chloro-7-iodo-8-quinolinyl) ester IUPAC Name: (5-chloro-7-iodoquinolin-8-yl) 2,3-dimethylbenzenesulfonate Traditional Name: 2,3-dimethylbenzenesulfonic acid (5-chloro-7-iodo-8-quinolyl) ester Formula: C17H13ClINO3S MolecularWeight: 473.71249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I)C

Isomeric SMILES

CC1=C(C(=CC=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Cl)I)C

InChI

InChI=1S/C17H13ClINO3S/c1-10-5-3-7-15(11(10)2)24(21,22)23-17-14(19)9-13(18)12-6-4-8-20-16(12)17/h3-9H,1-2H3