(2-methylquinolin-8-yl) 3-chloranyl-4-fluoranyl-benzenesulfonate

Systemtic Name: (2-methylquinolin-8-yl) 3-chloranyl-4-fluoranyl-benzenesulfonate Openeye Name: (2-methyl-8-quinolyl) 3-chloro-4-fluoro-benzenesulfonate CAS Name: 3-chloro-4-fluorobenzenesulfonic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 3-chloro-4-fluorobenzenesulfonate Traditional Name: 3-chloro-4-fluoro-benzenesulfonic acid (2-methyl-8-quinolyl) ester Formula: C16H11ClFNO3S MolecularWeight: 351.779843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC(=C(C=C3)F)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OS(=O)(=O)C3=CC(=C(C=C3)F)Cl)C=C1

InChI

InChI=1S/C16H11ClFNO3S/c1-10-5-6-11-3-2-4-15(16(11)19-10)22-23(20,21)12-7-8-14(18)13(17)9-12/h2-9H,1H3