(E)-1-diazonio-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-prop-1-en-2-olate

Systemtic Name: (E)-1-diazonio-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-prop-1-en-2-olate Openeye Name: (E)-1-diazonio-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-prop-1-en-2-olate CAS Name: (E)-1-diazonio-1-[4-(2-methyl-1-oxopropoxy)phenyl]sulfonyl-1-propen-2-olate IUPAC Name: (E)-1-diazonio-1-[4-(2-methylpropanoyloxy)phenyl]sulfonylprop-1-en-2-olate Traditional Name: (E)-1-diazonio-1-(4-isobutyryloxyphenyl)sulfonyl-prop-1-en-2-olate Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)C(=C(C)[O-])[N+]#N

Isomeric SMILES

CC(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C)/[O-])/[N+]#N

InChI

InChI=1S/C13H14N2O5S/c1-8(2)13(17)20-10-4-6-11(7-5-10)21(18,19)12(15-14)9(3)16/h4-8H,1-3H3/b12-9+