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

Systemtic Name: 2-(4-methylpentan-2-yl)-1,1,3-tris(oxidanylidene)-1,2-benzothiazole-6-carboxylic acid Openeye Name: 2-(1,3-dimethylbutyl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 2-(4-methylpentan-2-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 2-(4-methylpentan-2-yl)-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid Traditional Name: 2-(1,3-dimethylbutyl)-1,1,3-triketo-1,2-benzothiazole-6-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c1-8(2)6-9(3)15-13(16)11-5-4-10(14(17)18)7-12(11)21(15,19)20/h4-5,7-9H,6H2,1-3H3,(H,17,18)