1,1,3-tris(oxidanylidene)-2-(2-oxidanylideneoxolan-3-yl)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-(2-oxidanylideneoxolan-3-yl)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 1,1,3-trioxo-2-(2-oxotetrahydrofuran-3-yl)-1,2-benzothiazole-6-carboxylic acid CAS Name: 1,1,3-trioxo-2-(2-oxo-3-oxolanyl)-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 1,1,3-trioxo-2-(2-oxooxolan-3-yl)-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-(2-ketotetrahydrofuran-3-yl)-1,2-benzothiazole-6-carboxylic acid Formula: C12H9NO7S MolecularWeight: 311.26736

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

C1COC(=O)C1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C12H9NO7S/c14-10-7-2-1-6(11(15)16)5-9(7)21(18,19)13(10)8-3-4-20-12(8)17/h1-2,5,8H,3-4H2,(H,15,16)