[9-(4-methylphenyl)sulfonyloxy-1-oxidanidyl-5,10-bis(oxidanylidene)benzo[g]quinolin-1-ium-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [9-(4-methylphenyl)sulfonyloxy-1-oxidanidyl-5,10-bis(oxidanylidene)benzo[g]quinolin-1-ium-6-yl] 4-methylbenzenesulfonate Openeye Name: [1-oxido-5,10-dioxo-9-(p-tolylsulfonyloxy)benzo[g]quinolin-1-ium-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-(4-methylphenyl)sulfonyloxy-1-oxido-5,10-dioxo-6-benzo[g]quinolin-1-iumyl] ester IUPAC Name: [9-(4-methylphenyl)sulfonyloxy-1-oxido-5,10-dioxobenzo[g]quinolin-1-ium-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5,10-diketo-1-oxido-9-tosyloxy-benzo[g]quinolin-1-ium-6-yl) ester Formula: C27H19NO9S2 MolecularWeight: 565.57106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC=[N+]5[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=C(C3=O)C=CC=[N+]5[O-]

InChI

InChI=1S/C27H19NO9S2/c1-16-5-9-18(10-6-16)38(32,33)36-21-13-14-22(37-39(34,35)19-11-7-17(2)8-12-19)24-23(21)26(29)20-4-3-15-28(31)25(20)27(24)30/h3-15H,1-2H3