[2,2,4-trimethyl-1-(4-nitrophenyl)sulfonyl-quinolin-6-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2,2,4-trimethyl-1-(4-nitrophenyl)sulfonyl-quinolin-6-yl] 4-nitrobenzenesulfonate Openeye Name: [2,2,4-trimethyl-1-(4-nitrophenyl)sulfonyl-6-quinolyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2,2,4-trimethyl-1-(4-nitrophenyl)sulfonyl-6-quinolinyl] ester IUPAC Name: [2,2,4-trimethyl-1-(4-nitrophenyl)sulfonylquinolin-6-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2,2,4-trimethyl-1-nosyl-6-quinolyl) ester Formula: C24H21N3O9S2 MolecularWeight: 559.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C)C

InChI

InChI=1S/C24H21N3O9S2/c1-16-15-24(2,3)25(37(32,33)20-9-4-17(5-10-20)26(28)29)23-13-8-19(14-22(16)23)36-38(34,35)21-11-6-18(7-12-21)27(30)31/h4-15H,1-3H3