(E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium CAS Name: (E)-1-(2-butoxy-5-tert-butylphenyl)sulfonyl-2-hydroxy-3,3-dimethyl-1-butene-1-diazonium IUPAC Name: (E)-1-(2-butoxy-5-tert-butylphenyl)sulfonyl-2-hydroxy-3,3-dimethylbut-1-ene-1-diazonium Traditional Name: (E)-1-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium Formula: C20H31N2O4S+ MolecularWeight: 395.53614

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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/p+1/b18-17+