3-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]cyclohexane-1,2-dione

Systemtic Name: 3-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]carbonyl]cyclohexane-1,2-dione Openeye Name: 3-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)cyclohexane-1,2-dione CAS Name: 3-[oxo-(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyclohexane-1,2-dione IUPAC Name: 3-(1,1,3-trioxo-1,2-benzothiazole-2-carbonyl)cyclohexane-1,2-dione Traditional Name: 3-(1,1,3-triketo-1,2-benzothiazole-2-carbonyl)cyclohexane-1,2-quinone Formula: C14H11NO6S MolecularWeight: 321.30524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(=O)C1)C(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C1CC(C(=O)C(=O)C1)C(=O)N2C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C14H11NO6S/c16-10-6-3-5-9(12(10)17)14(19)15-13(18)8-4-1-2-7-11(8)22(15,20)21/h1-2,4,7,9H,3,5-6H2