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

Systemtic Name: [1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl] 3-methyl-2-oxidanylidene-1,3-benzoxazole-6-sulfonate Openeye Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate CAS Name: 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonic acid (1,3-dioxo-2-benzo[de]isoquinolinyl) ester IUPAC Name: (1,3-dioxobenzo[de]isoquinolin-2-yl) 3-methyl-2-oxo-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3-methyl-1,3-benzoxazole-6-sulfonic acid (1,3-diketobenzo[de]isoquinolin-2-yl) ester Formula: C20H12N2O7S MolecularWeight: 424.38348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)ON3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)OC1=O

InChI

InChI=1S/C20H12N2O7S/c1-21-15-9-8-12(10-16(15)28-20(21)25)30(26,27)29-22-18(23)13-6-2-4-11-5-3-7-14(17(11)13)19(22)24/h2-10H,1H3