(E)-2-diazonio-1-[(2S,4S)-4-(2-oxidanylphenoxy)pentan-2-yl]oxy-ethenolate

Systemtic Name: (E)-2-diazonio-1-[(2S,4S)-4-(2-oxidanylphenoxy)pentan-2-yl]oxy-ethenolate Openeye Name: (E)-2-diazonio-1-[(1S,3S)-3-(2-hydroxyphenoxy)-1-methyl-butoxy]ethenolate CAS Name: (E)-2-diazonio-1-[(2S,4S)-4-(2-hydroxyphenoxy)pentan-2-yl]oxyethenolate IUPAC Name: (E)-2-diazonio-1-[(2S,4S)-4-(2-hydroxyphenoxy)pentan-2-yl]oxyethenolate Traditional Name: (E)-2-diazonio-1-[(1S,3S)-3-(2-hydroxyphenoxy)-1-methyl-butoxy]ethenolate Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)OC(=C[N+]#N)[O-])OC1=CC=CC=C1O

Isomeric SMILES

C[C@@H](C[C@H](C)O/C(=C/[N+]#N)/[O-])OC1=CC=CC=C1O

InChI

InChI=1S/C13H16N2O4/c1-9(7-10(2)19-13(17)8-15-14)18-12-6-4-3-5-11(12)16/h3-6,8-10H,7H2,1-2H3,(H-,16,17)/b13-8+/t9-,10-/m0/s1