3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid

Systemtic Name: 3-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid Openeye Name: 3-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzenesulfonic acid CAS Name: 3-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzenesulfonic acid IUPAC Name: 3-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonic acid Traditional Name: 3-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)besylic acid Formula: C18H9N3O9S MolecularWeight: 443.34376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H9N3O9S/c22-17-14-7-11(20(24)25)4-9-5-12(21(26)27)8-15(16(9)14)18(23)19(17)10-2-1-3-13(6-10)31(28,29)30/h1-8H,(H,28,29,30)