(E)-1-diazonio-1-(3,4-dimethylphenyl)sulfonyl-3-methyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-1-(3,4-dimethylphenyl)sulfonyl-3-methyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-1-(3,4-dimethylphenyl)sulfonyl-3-methyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-1-(3,4-dimethylphenyl)sulfonyl-3-methyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-1-(3,4-dimethylphenyl)sulfonyl-3-methylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-1-(3,4-dimethylphenyl)sulfonyl-3-methyl-but-1-en-2-olate Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(=C(C(C)C)[O-])[N+]#N)C

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-8(2)12(16)13(15-14)19(17,18)11-6-5-9(3)10(4)7-11/h5-8H,1-4H3/b13-12+