[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-tert-butylbenzenesulfonate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O7S/c1-22(2,3)14-7-9-16(10-8-14)32(29,30)31-23-20(25)17-6-4-5-13-11-15(24(27)28)12-18(19(13)17)21(23)26/h4-12H,1-3H3