(E)-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonylbut-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-3,3-dimethyl-1-(4-methylsulfonyloxyphenyl)sulfonyl-but-1-ene-1-diazonium Formula: C13H17N2O6S2+ MolecularWeight: 361.41388

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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/p+1/b12-11+