(E)-2-diazonio-1-[(2R,4S)-4-(3-ethyl-5-methyl-phenoxy)pentan-2-yl]oxy-ethenolate

Systemtic Name: (E)-2-diazonio-1-[(2R,4S)-4-(3-ethyl-5-methyl-phenoxy)pentan-2-yl]oxy-ethenolate Openeye Name: (E)-2-diazonio-1-[(1R,3S)-3-(3-ethyl-5-methyl-phenoxy)-1-methyl-butoxy]ethenolate CAS Name: (E)-2-diazonio-1-[(2R,4S)-4-(3-ethyl-5-methylphenoxy)pentan-2-yl]oxyethenolate IUPAC Name: (E)-2-diazonio-1-[(2R,4S)-4-(3-ethyl-5-methylphenoxy)pentan-2-yl]oxyethenolate Traditional Name: (E)-2-diazonio-1-[(1R,3S)-3-(3-ethyl-5-methyl-phenoxy)-1-methyl-butoxy]ethenolate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C)OC(C)CC(C)OC(=C[N+]#N)[O-]

Isomeric SMILES

CCC1=CC(=CC(=C1)C)O[C@@H](C)C[C@@H](C)O/C(=C/[N+]#N)/[O-]

InChI

InChI=1S/C16H22N2O3/c1-5-14-6-11(2)7-15(9-14)20-12(3)8-13(4)21-16(19)10-18-17/h6-7,9-10,12-13H,5,8H2,1-4H3/b16-10+/t12-,13+/m0/s1