(E,3S,5R)-1-diazonio-6-methoxy-3,5-dimethyl-6-oxidanylidene-hex-1-en-2-olate

Systemtic Name: (E,3S,5R)-1-diazonio-6-methoxy-3,5-dimethyl-6-oxidanylidene-hex-1-en-2-olate Openeye Name: (E,3S,5R)-1-diazonio-6-methoxy-3,5-dimethyl-6-oxo-hex-1-en-2-olate CAS Name: (E,3S,5R)-1-diazonio-6-methoxy-3,5-dimethyl-6-oxo-1-hexen-2-olate IUPAC Name: (E,3S,5R)-1-diazonio-6-methoxy-3,5-dimethyl-6-oxohex-1-en-2-olate Traditional Name: (E,3S,5R)-1-diazonio-6-keto-6-methoxy-3,5-dimethyl-hex-1-en-2-olate Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)OC)C(=C[N+]#N)[O-]

Isomeric SMILES

C[C@@H](C[C@@H](C)C(=O)OC)/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C9H14N2O3/c1-6(8(12)5-11-10)4-7(2)9(13)14-3/h5-7H,4H2,1-3H3/b8-5+/t6-,7+/m0/s1