(5-chloranylquinolin-8-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-chloranylquinolin-8-yl) 4-methylbenzenesulfonate Openeye Name: (5-chloro-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-chloro-8-quinolyl) ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClNO3S/c1-11-4-6-12(7-5-11)22(19,20)21-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10H,1H3