[5,7-bis(bromanyl)quinolin-8-yl] 4-fluoranyl-3-methyl-benzenesulfonate

Systemtic Name: [5,7-bis(bromanyl)quinolin-8-yl] 4-fluoranyl-3-methyl-benzenesulfonate Openeye Name: (5,7-dibromo-8-quinolyl) 4-fluoro-3-methyl-benzenesulfonate CAS Name: 4-fluoro-3-methylbenzenesulfonic acid (5,7-dibromo-8-quinolinyl) ester IUPAC Name: (5,7-dibromoquinolin-8-yl) 4-fluoro-3-methylbenzenesulfonate Traditional Name: 4-fluoro-3-methyl-benzenesulfonic acid (5,7-dibromo-8-quinolyl) ester Formula: C16H10Br2FNO3S MolecularWeight: 475.126903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)F

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=C(C=C(C3=C2N=CC=C3)Br)Br)F

InChI

InChI=1S/C16H10Br2FNO3S/c1-9-7-10(4-5-14(9)19)24(21,22)23-16-13(18)8-12(17)11-3-2-6-20-15(11)16/h2-8H,1H3