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

Systemtic Name: [6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 1,3-dimethyl-2-oxidanylidene-benzimidazole-5-sulfonate Openeye Name: (6-chloro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 1,3-dimethyl-2-oxo-benzimidazole-5-sulfonate CAS Name: 1,3-dimethyl-2-oxo-5-benzimidazolesulfonic acid (6-chloro-1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl) 1,3-dimethyl-2-oxobenzimidazole-5-sulfonate Traditional Name: 2-keto-1,3-dimethyl-benzimidazole-5-sulfonic acid (6-chloro-1,3-diketo-benzo[de]isoquinolin-2-yl) ester Formula: C21H14ClN3O6S MolecularWeight: 471.87036

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=C5C(=C(C=C4)Cl)C=CC=C5C3=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=C5C(=C(C=C4)Cl)C=CC=C5C3=O)N(C1=O)C

InChI

InChI=1S/C21H14ClN3O6S/c1-23-16-9-6-11(10-17(16)24(2)21(23)28)32(29,30)31-25-19(26)13-5-3-4-12-15(22)8-7-14(18(12)13)20(25)27/h3-10H,1-2H3