2-hydroxyethylazanium; 4,6,6-tris(oxidanylidene)-5H-thiochromeno[4,3-b]pyran-2-carboxylate

Systemtic Name: 2-hydroxyethylazanium; 4,6,6-tris(oxidanylidene)-5H-thiochromeno[4,3-b]pyran-2-carboxylate Openeye Name: 2-hydroxyethylammonium; 4,6,6-trioxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate CAS Name: 2-hydroxyethylammonium; 4,6,6-trioxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate IUPAC Name: 2-hydroxyethylazanium; 4,6,6-trioxo-5H-thiochromeno[4,3-b]pyran-2-carboxylate Traditional Name: 2-hydroxyethylammonium; 4,6,6-triketo-5H-thiochromeno[4,3-b]pyran-2-carboxylate Formula: C15H15NO7S MolecularWeight: 353.3471

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=CC2=O)C(=O)[O-].C(CO)[NH3+]

Isomeric SMILES

C1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=CC2=O)C(=O)[O-].C(CO)[NH3+]

InChI

InChI=1S/C13H8O6S.C2H7NO/c14-9-5-10(13(15)16)19-12-7-3-1-2-4-11(7)20(17,18)6-8(9)12;3-1-2-4/h1-5H,6H2,(H,15,16);4H,1-3H2