(7-chloranylquinolin-4-yl) 2,5-dimethylbenzenesulfonate

Systemtic Name: (7-chloranylquinolin-4-yl) 2,5-dimethylbenzenesulfonate Openeye Name: (7-chloro-4-quinolyl) 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid (7-chloro-4-quinolinyl) ester IUPAC Name: (7-chloroquinolin-4-yl) 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid (7-chloro-4-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=CC(=CC3=NC=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C3C=CC(=CC3=NC=C2)Cl

InChI

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