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

Systemtic Name: [9-(4-methylphenyl)sulfonyloxy-2-oxidanidyl-5,10-bis(oxidanylidene)benzo[g]isoquinolin-2-ium-6-yl] 4-methylbenzenesulfonate Openeye Name: [2-oxido-5,10-dioxo-9-(p-tolylsulfonyloxy)benzo[g]isoquinolin-2-ium-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [9-(4-methylphenyl)sulfonyloxy-2-oxido-5,10-dioxo-6-benzo[g]isoquinolin-2-iumyl] ester IUPAC Name: [9-(4-methylphenyl)sulfonyloxy-2-oxido-5,10-dioxobenzo[g]isoquinolin-2-ium-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5,10-diketo-2-oxido-9-tosyloxy-benz[g]isoquinolin-2-ium-6-yl) ester Formula: C27H19NO9S2 MolecularWeight: 565.57106

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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=C[N+](=C5)[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=C[N+](=C5)[O-]

InChI

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