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

Systemtic Name: (E)-1-(5-tert-butyl-2-hexoxy-phenyl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-1-(5-tert-butyl-2-hexoxy-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium CAS Name: (E)-1-(5-tert-butyl-2-hexoxyphenyl)sulfonyl-2-hydroxy-3,3-dimethyl-1-butene-1-diazonium IUPAC Name: (E)-1-(5-tert-butyl-2-hexoxyphenyl)sulfonyl-2-hydroxy-3,3-dimethylbut-1-ene-1-diazonium Traditional Name: (E)-1-(5-tert-butyl-2-hexoxy-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium Formula: C22H35N2O4S+ MolecularWeight: 423.5893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O4S/c1-8-9-10-11-14-28-17-13-12-16(21(2,3)4)15-18(17)29(26,27)20(24-23)19(25)22(5,6)7/h12-13,15H,8-11,14H2,1-7H3/p+1/b20-19+