2,2-dimethyl-6-oxidanylidene-5-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)-1,3-dioxin-4-olate

Systemtic Name: 2,2-dimethyl-6-oxidanylidene-5-(3-phenyl-1,2,3,4-thiatriazol-3-ium-5-yl)-1,3-dioxin-4-olate Openeye Name: 2,2-dimethyl-6-oxo-5-(3-phenylthiatriazol-3-ium-5-yl)-1,3-dioxin-4-olate CAS Name: 2,2-dimethyl-6-oxo-5-(3-phenyl-5-thiatriazol-3-iumyl)-1,3-dioxin-4-olate IUPAC Name: 2,2-dimethyl-6-oxo-5-(3-phenylthiatriazol-3-ium-5-yl)-1,3-dioxin-4-olate Traditional Name: 6-keto-2,2-dimethyl-5-(3-phenylthiatriazol-3-ium-5-yl)-1,3-dioxin-4-olate Formula: C13H11N3O4S MolecularWeight: 305.30914

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C2=N[N+](=NS2)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C2=N[N+](=NS2)C3=CC=CC=C3)[O-])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