5-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-(1,1-dioxo-1,2-benzothiazol-3-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-(1,1-diketo-1,2-benzothiazol-3-ylidene)-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H11NO6S MolecularWeight: 309.29454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C2C3=CC=CC=C3S(=O)(=O)N2)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C2C3=CC=CC=C3S(=O)(=O)N2)C(=O)O1)C

InChI

InChI=1S/C13H11NO6S/c1-13(2)19-11(15)9(12(16)20-13)10-7-5-3-4-6-8(7)21(17,18)14-10/h3-6,14H,1-2H3