(E)-2-diazonio-1-[2-methyl-5-(phenylmethyl)-1,3-dioxan-2-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[2-methyl-5-(phenylmethyl)-1,3-dioxan-2-yl]ethenolate Openeye Name: (E)-1-(5-benzyl-2-methyl-1,3-dioxan-2-yl)-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[2-methyl-5-(phenylmethyl)-1,3-dioxan-2-yl]ethenolate IUPAC Name: (E)-1-(5-benzyl-2-methyl-1,3-dioxan-2-yl)-2-diazonioethenolate Traditional Name: (E)-1-(5-benzyl-2-methyl-1,3-dioxan-2-yl)-2-diazonio-ethenolate Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC2=CC=CC=C2)C(=C[N+]#N)[O-]

Isomeric SMILES

CC1(OCC(CO1)CC2=CC=CC=C2)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C14H16N2O3/c1-14(13(17)8-16-15)18-9-12(10-19-14)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9-10H2,1H3/b13-8+