(3-chloranyl-2-oxidanylidene-1H-quinolin-4-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-chloranyl-2-oxidanylidene-1H-quinolin-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-chloro-2-oxo-1H-quinolin-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-chloro-2-oxo-1H-quinolin-4-yl) ester IUPAC Name: (3-chloro-2-oxo-1H-quinolin-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-chloro-2-keto-1H-quinolin-4-yl) ester Formula: C16H12ClNO4S MolecularWeight: 349.78878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)NC3=CC=CC=C32)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)NC3=CC=CC=C32)Cl

InChI

InChI=1S/C16H12ClNO4S/c1-10-6-8-11(9-7-10)23(20,21)22-15-12-4-2-3-5-13(12)18-16(19)14(15)17/h2-9H,1H3,(H,18,19)