5-diazonio-2-methyl-6-oxidanylidene-2-phenethyl-1,3-dioxin-4-olate

Systemtic Name: 5-diazonio-2-methyl-6-oxidanylidene-2-phenethyl-1,3-dioxin-4-olate Openeye Name: 5-diazonio-2-methyl-6-oxo-2-phenethyl-1,3-dioxin-4-olate CAS Name: 5-diazonio-2-methyl-6-oxo-2-phenethyl-1,3-dioxin-4-olate IUPAC Name: 5-diazonio-2-methyl-6-oxo-2-phenethyl-1,3-dioxin-4-olate Traditional Name: 5-diazonio-6-keto-2-methyl-2-phenethyl-1,3-dioxin-4-olate Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)[N+]#N)[O-])CCC2=CC=CC=C2

Isomeric SMILES

CC1(OC(=C(C(=O)O1)[N+]#N)[O-])CCC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O4/c1-13(8-7-9-5-3-2-4-6-9)18-11(16)10(15-14)12(17)19-13/h2-6H,7-8H2,1H3