(5-chloranylquinolin-8-yl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 2,5-dimethylbenzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C17H14ClNO3S MolecularWeight: 347.81596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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