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

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-pentan-3-yl-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(1-ethylpropyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 1,1,3-trioxo-2-pentan-3-yl-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 1,1,3-trioxo-2-pentan-3-yl-1,2-benzothiazole-6-carboxylic acid Traditional Name: 2-(1-ethylpropyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

Isomeric SMILES

CCC(CC)N1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-3-9(4-2)14-12(15)10-6-5-8(13(16)17)7-11(10)20(14,18)19/h5-7,9H,3-4H2,1-2H3,(H,16,17)