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

Systemtic Name: (2-chloranylquinolin-8-yl) 4-methylbenzenesulfonate Openeye Name: (2-chloro-8-quinolyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-chloro-8-quinolinyl) ester IUPAC Name: (2-chloroquinolin-8-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-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=CC=CC3=C2N=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC3=C2N=C(C=C3)Cl

InChI

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