(E)-1-diazonio-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-but-1-en-2-olate Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S2/c1-13(2,3)11(16)12(15-14)23(19,20)10-7-5-9(6-8-10)21-22(4,17)18/h5-8H,1-4H3/b12-11+