(E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-prop-1-en-2-olate

Systemtic Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-prop-1-en-2-olate Openeye Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-prop-1-en-2-olate CAS Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-1-propen-2-olate IUPAC Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonioprop-1-en-2-olate Traditional Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-prop-1-en-2-olate Formula: C13H16N2O6S2 MolecularWeight: 360.40594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S2/c1-3-4-9-22(17,18)21-11-5-7-12(8-6-11)23(19,20)13(15-14)10(2)16/h5-8H,3-4,9H2,1-2H3/b13-10+