(4-nitro-2-thiophen-2-yl-phenyl) 2-oxidanylidenechromene-6-sulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 2-oxidanylidenechromene-6-sulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 2-oxochromene-6-sulfonate CAS Name: 2-oxo-1-benzopyran-6-sulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 2-oxochromene-6-sulfonate Traditional Name: 2-ketochromene-6-sulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C19H11NO7S2 MolecularWeight: 429.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

Isomeric SMILES

C1=CSC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC4=C(C=C3)OC(=O)C=C4

InChI

InChI=1S/C19H11NO7S2/c21-19-8-3-12-10-14(5-7-16(12)26-19)29(24,25)27-17-6-4-13(20(22)23)11-15(17)18-2-1-9-28-18/h1-11H