1,1,3-tris(oxidanylidene)-2-prop-2-ynyl-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-prop-2-ynyl-1,2-benzothiazole-6-carboxylic acid Openeye Name: 1,1,3-trioxo-2-prop-2-ynyl-1,2-benzothiazole-6-carboxylic acid CAS Name: 1,1,3-trioxo-2-prop-2-ynyl-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 1,1,3-trioxo-2-prop-2-ynyl-1,2-benzothiazole-6-carboxylic acid Traditional Name: 1,1,3-triketo-2-propargyl-1,2-benzothiazole-6-carboxylic acid Formula: C11H7NO5S MolecularWeight: 265.24198

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

Isomeric SMILES

C#CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)C(=O)O

InChI

InChI=1S/C11H7NO5S/c1-2-5-12-10(13)8-4-3-7(11(14)15)6-9(8)18(12,16)17/h1,3-4,6H,5H2,(H,14,15)