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

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


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