2,2-dimethyl-6-oxidanylidene-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-olate

Systemtic Name: 2,2-dimethyl-6-oxidanylidene-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-olate Openeye Name: 2,2-dimethyl-6-oxo-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-olate CAS Name: 2,2-dimethyl-6-oxo-5-(1-pyridin-1-iumylmethyl)-1,3-dioxin-4-olate IUPAC Name: 2,2-dimethyl-6-oxo-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-olate Traditional Name: 6-keto-2,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1,3-dioxin-4-olate Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C[N+]2=CC=CC=C2)[O-])C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C[N+]2=CC=CC=C2)[O-])C

InChI

InChI=1S/C12H13NO4/c1-12(2)16-10(14)9(11(15)17-12)8-13-6-4-3-5-7-13/h3-7H,8H2,1-2H3