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

Systemtic Name: (E)-1-(5-tert-butyl-2-hexoxy-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-(5-tert-butyl-2-hexoxy-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-(5-tert-butyl-2-hexoxyphenyl)sulfonyl-1-diazonio-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-(5-tert-butyl-2-hexoxyphenyl)sulfonyl-1-diazonio-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-(5-tert-butyl-2-hexoxy-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Formula: C22H34N2O4S MolecularWeight: 422.58136

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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/b20-19+