2-(oxan-4-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 2-(oxan-4-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 1,1,3-trioxo-2-tetrahydropyran-4-yl-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(4-oxanyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(oxan-4-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-tetrahydropyran-4-yl-1,2-benzothiazole-6-carboxylic acid Formula: C13H13NO6S MolecularWeight: 311.31042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCC1N2C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C13H13NO6S/c15-12-10-2-1-8(13(16)17)7-11(10)21(18,19)14(12)9-3-5-20-6-4-9/h1-2,7,9H,3-6H2,(H,16,17)