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

Systemtic Name: 3-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzenesulfonic acid Openeye Name: 3-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzenesulfonic acid CAS Name: 3-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzenesulfonic acid IUPAC Name: 3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzenesulfonic acid Traditional Name: 3-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)besylic acid Formula: C18H10N2O7S MolecularWeight: 398.3462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC(=CC=C4)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)C4=CC(=CC=C4)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H10N2O7S/c21-17-14-6-1-3-10-7-12(20(23)24)9-15(16(10)14)18(22)19(17)11-4-2-5-13(8-11)28(25,26)27/h1-9H,(H,25,26,27)