(5-chloranylquinolin-8-yl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 3,4-dimethylbenzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C

InChI

InChI=1S/C17H14ClNO3S/c1-11-5-6-13(10-12(11)2)23(20,21)22-16-8-7-15(18)14-4-3-9-19-17(14)16/h3-10H,1-2H3