(E)-1-diazonio-1-(2-hexoxy-5-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-1-(2-hexoxy-5-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-1-(2-hexoxy-5-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-1-(2-hexoxy-5-methylphenyl)sulfonyl-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-1-(2-hexoxy-5-methylphenyl)sulfonyl-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-1-(2-hexoxy-5-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C)S(=O)(=O)C(=C(C(C)(C)C)[O-])[N+]#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C)S(=O)(=O)/C(=C(\C(C)(C)C)/[O-])/[N+]#N

InChI

InChI=1S/C19H28N2O4S/c1-6-7-8-9-12-25-15-11-10-14(2)13-16(15)26(23,24)18(21-20)17(22)19(3,4)5/h10-11,13H,6-9,12H2,1-5H3/b18-17+