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

Systemtic Name: [5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 4-methylnaphthalene-1-sulfonate Openeye Name: (5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylnaphthalene-1-sulfonate CAS Name: 4-methyl-1-naphthalenesulfonic acid (5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl) 4-methylnaphthalene-1-sulfonate Traditional Name: 4-methylnaphthalene-1-sulfonic acid (1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl) ester Formula: C23H14N2O7S MolecularWeight: 462.43146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)ON3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C2=CC=CC=C12)S(=O)(=O)ON3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O7S/c1-13-9-10-20(17-7-3-2-6-16(13)17)33(30,31)32-24-22(26)18-8-4-5-14-11-15(25(28)29)12-19(21(14)18)23(24)27/h2-12H,1H3