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

Systemtic Name: (E)-1-(2,4-dibutoxyphenyl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-1-(2,4-dibutoxyphenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium CAS Name: (E)-1-(2,4-dibutoxyphenyl)sulfonyl-2-hydroxy-3,3-dimethyl-1-butene-1-diazonium IUPAC Name: (E)-1-(2,4-dibutoxyphenyl)sulfonyl-2-hydroxy-3,3-dimethylbut-1-ene-1-diazonium Traditional Name: (E)-1-(2,4-dibutoxyphenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium Formula: C20H31N2O5S+ MolecularWeight: 411.53554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-6-8-12-26-15-10-11-17(16(14-15)27-13-9-7-2)28(24,25)19(22-21)18(23)20(3,4)5/h10-11,14H,6-9,12-13H2,1-5H3/p+1/b19-18+