[6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate

Systemtic Name: [6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2-oxidanylidene-1,3-dihydrobenzimidazole-5-sulfonate Openeye Name: (6-chloro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate CAS Name: 2-oxo-1,3-dihydrobenzimidazole-5-sulfonic acid (6-chloro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl) 2-oxo-1,3-dihydrobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dihydrobenzimidazole-5-sulfonic acid (6-chloro-1,3-diketo-benzo[de]isoquinolin-2-yl) ester Formula: C19H10ClN3O6S MolecularWeight: 443.8172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5)Cl

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)OS(=O)(=O)C4=CC5=C(C=C4)NC(=O)N5)Cl

InChI

InChI=1S/C19H10ClN3O6S/c20-13-6-5-12-16-10(13)2-1-3-11(16)17(24)23(18(12)25)29-30(27,28)9-4-7-14-15(8-9)22-19(26)21-14/h1-8H,(H2,21,22,26)