(E)-1-diazonio-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-but-1-en-2-olate; (E)-2-diazonio-2-naphthalen-2-ylsulfonyl-1-phenyl-ethenolate

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-but-1-en-2-olate; (E)-2-diazonio-2-naphthalen-2-ylsulfonyl-1-phenyl-ethenolate Openeye Name: (E)-1-diazonio-3,3-dimethyl-1-(p-tolylsulfonyl)but-1-en-2-olate; (E)-2-diazonio-2-(2-naphthylsulfonyl)-1-phenyl-ethenolate CAS Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-1-buten-2-olate; (E)-2-diazonio-2-(2-naphthalenylsulfonyl)-1-phenylethenolate IUPAC Name: (E)-1-diazonio-3,3-dimethyl-1-(4-methylphenyl)sulfonylbut-1-en-2-olate; (E)-2-diazonio-2-naphthalen-2-ylsulfonyl-1-phenylethenolate Traditional Name: (E)-1-diazonio-3,3-dimethyl-1-tosyl-but-1-en-2-olate; (E)-2-diazonio-2-(2-naphthylsulfonyl)-1-phenyl-ethenolate Formula: C31H28N4O6S2 MolecularWeight: 616.70722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=C(C(C)(C)C)[O-])[N+]#N.C1=CC=C(C=C1)C(=C([N+]#N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C(C)(C)C)/[O-])/[N+]#N.C1=CC=C(C=C1)/C(=C(/[N+]#N)\S(=O)(=O)C2=CC3=CC=CC=C3C=C2)/[O-]

InChI

InChI=1S/C18H12N2O3S.C13H16N2O3S/c19-20-18(17(21)14-7-2-1-3-8-14)24(22,23)16-11-10-13-6-4-5-9-15(13)12-16;1-9-5-7-10(8-6-9)19(17,18)12(15-14)11(16)13(2,3)4/h1-12H;5-8H,1-4H3/b18-17+;12-11+