(E)-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-2-oxidanyl-prop-1-ene-1-diazonium

Systemtic Name: (E)-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-2-oxidanyl-prop-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-prop-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-1-[4-(2-methyl-1-oxopropoxy)phenyl]sulfonyl-1-propene-1-diazonium IUPAC Name: (E)-2-hydroxy-1-[4-(2-methylpropanoyloxy)phenyl]sulfonylprop-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-1-(4-isobutyryloxyphenyl)sulfonyl-prop-1-ene-1-diazonium Formula: C13H15N2O5S+ MolecularWeight: 311.3336

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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/p+1/b12-9+