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

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-methylbenzenesulfonate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C19H12N2O7S MolecularWeight: 412.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H12N2O7S/c1-11-5-7-14(8-6-11)29(26,27)28-20-18(22)15-4-2-3-12-9-13(21(24)25)10-16(17(12)15)19(20)23/h2-10H,1H3