(E)-1-diazonio-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-3,3-dimethyl-1-[4-(2-methyl-1-oxopropoxy)phenyl]sulfonyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3,3-dimethyl-1-[4-(2-methylpropanoyloxy)phenyl]sulfonylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-1-(4-isobutyryloxyphenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Formula: C16H20N2O5S MolecularWeight: 352.4054

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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(C)(C)C)[O-])[N+]#N

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-10(2)15(20)23-11-6-8-12(9-7-11)24(21,22)14(18-17)13(19)16(3,4)5/h6-10H,1-5H3/b14-13+