[6-fluoranyl-2-oxidanidyl-5,10-bis(oxidanylidene)benzo[g]isoquinolin-2-ium-9-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-fluoranyl-2-oxidanidyl-5,10-bis(oxidanylidene)benzo[g]isoquinolin-2-ium-9-yl] 4-methylbenzenesulfonate Openeye Name: (6-fluoro-2-oxido-5,10-dioxo-benzo[g]isoquinolin-2-ium-9-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-fluoro-2-oxido-5,10-dioxo-9-benzo[g]isoquinolin-2-iumyl) ester IUPAC Name: (6-fluoro-2-oxido-5,10-dioxobenzo[g]isoquinolin-2-ium-9-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-fluoro-5,10-diketo-2-oxido-benz[g]isoquinolin-2-ium-9-yl) ester Formula: C20H12FNO6S MolecularWeight: 413.375783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)F)C(=O)C4=C(C3=O)C=[N+](C=C4)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)F)C(=O)C4=C(C3=O)C=[N+](C=C4)[O-]

InChI

InChI=1S/C20H12FNO6S/c1-11-2-4-12(5-3-11)29(26,27)28-16-7-6-15(21)17-18(16)20(24)14-10-22(25)9-8-13(14)19(17)23/h2-10H,1H3