(E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate

Systemtic Name: (E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-(2-butoxy-5-tert-butylphenyl)sulfonyl-1-diazonio-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-(2-butoxy-5-tert-butylphenyl)sulfonyl-1-diazonio-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)C(=C(C(C)(C)C)[O-])[N+]#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)/C(=C(\C(C)(C)C)/[O-])/[N+]#N

InChI

InChI=1S/C20H30N2O4S/c1-8-9-12-26-15-11-10-14(19(2,3)4)13-16(15)27(24,25)18(22-21)17(23)20(5,6)7/h10-11,13H,8-9,12H2,1-7H3/b18-17+