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

Systemtic Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-(4-butylsulfonyloxyphenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S2/c1-5-6-11-25(20,21)24-12-7-9-13(10-8-12)26(22,23)15(18-17)14(19)16(2,3)4/h7-10H,5-6,11H2,1-4H3/b15-14+