2,2-dimethyl-5-(3-phenyl-2H-1,2,3,4-thiatriazol-3-ium-5-ylidene)-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-(3-phenyl-2H-1,2,3,4-thiatriazol-3-ium-5-ylidene)-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-(3-phenyl-2H-thiatriazol-3-ium-5-ylidene)-1,3-dioxane-4,6-quinone Formula: C13H12N3O4S+ MolecularWeight: 306.31708

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=C2N=[N+](NS2)C3=CC=CC=C3)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=C2N=[N+](NS2)C3=CC=CC=C3)C(=O)O1)C

InChI

InChI=1S/C13H11N3O4S/c1-13(2)19-11(17)9(12(18)20-13)10-14-16(15-21-10)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1