6-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]hexanoic acid

Systemtic Name: 6-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]hexanoic acid Openeye Name: 6-(1,1,3-trioxo-1,2-benzothiazol-2-yl)hexanoic acid CAS Name: 6-(1,1,3-trioxo-1,2-benzothiazol-2-yl)hexanoic acid IUPAC Name: 6-(1,1,3-trioxo-1,2-benzothiazol-2-yl)hexanoic acid Traditional Name: 6-(1,1,3-triketo-1,2-benzothiazol-2-yl)hexanoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCCCC(=O)O

InChI

InChI=1S/C13H15NO5S/c15-12(16)8-2-1-5-9-14-13(17)10-6-3-4-7-11(10)20(14,18)19/h3-4,6-7H,1-2,5,8-9H2,(H,15,16)