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

Systemtic Name: [6-chloranyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: (6-chloro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 2-oxo-3H-1,3-benzoxazole-6-sulfonate CAS Name: 2-oxo-3H-1,3-benzoxazole-6-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-3H-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3H-1,3-benzoxazole-6-sulfonic acid (6-chloro-1,3-diketo-benzo[de]isoquinolin-2-yl) ester Formula: C19H9ClN2O7S MolecularWeight: 444.80196

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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)O5)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)O5)Cl

InChI

InChI=1S/C19H9ClN2O7S/c20-13-6-5-12-16-10(13)2-1-3-11(16)17(23)22(18(12)24)29-30(26,27)9-4-7-14-15(8-9)28-19(25)21-14/h1-8H,(H,21,25)