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

Systemtic Name: (E)-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-3,3-dimethyl-1-(p-tolylsulfonyl)but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3,3-dimethyl-1-(4-methylphenyl)sulfonyl-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylbut-1-ene-1-diazonium Traditional Name: (E)-2-hydroxy-3,3-dimethyl-1-tosyl-but-1-ene-1-diazonium Formula: C13H17N2O3S+ MolecularWeight: 281.35068

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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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C(C)(C)C)/O)/[N+]#N

InChI

InChI=1S/C13H16N2O3S/c1-9-5-7-10(8-6-9)19(17,18)12(15-14)11(16)13(2,3)4/h5-8H,1-4H3/p+1/b12-11+