(E)-1-diazonio-3,3-dimethyl-1-(phenylsulfonyl)but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-(phenylsulfonyl)but-1-en-2-olate Openeye Name: (E)-1-(benzenesulfonyl)-1-diazonio-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-(benzenesulfonyl)-1-diazonio-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-(benzenesulfonyl)-1-diazonio-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-besyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S/c1-12(2,3)10(15)11(14-13)18(16,17)9-7-5-4-6-8-9/h4-8H,1-3H3/b11-10+