(6-chloranyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)-phenyl-iodanium; 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-2-methyl-4-oxidanylidene-1H-quinolin-3-yl)-phenyl-iodanium; 4-methylbenzenesulfonate Openeye Name: (6-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)-phenyl-iodonium; 4-methylbenzenesulfonate CAS Name: (6-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)-phenyliodonium; 4-methylbenzenesulfonate IUPAC Name: (6-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)-phenyliodanium; 4-methylbenzenesulfonate Traditional Name: (6-chloro-4-keto-2-methyl-1H-quinolin-3-yl)-phenyl-iodonium tosylate Formula: C23H19ClINO4S MolecularWeight: 567.82373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=O)C2=C(N1)C=CC(=C2)Cl)[I+]C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(C(=O)C2=C(N1)C=CC(=C2)Cl)[I+]C3=CC=CC=C3

InChI

InChI=1S/C16H11ClINO.C7H8O3S/c1-10-15(18-12-5-3-2-4-6-12)16(20)13-9-11(17)7-8-14(13)19-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H,1H3;2-5H,1H3,(H,8,9,10)