(E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate

Systemtic Name: (E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate Openeye Name: (E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate CAS Name: (E)-2-(2-butoxy-5-tert-butylphenyl)sulfonyl-2-diazonio-1-phenylethenolate IUPAC Name: (E)-2-(2-butoxy-5-tert-butylphenyl)sulfonyl-2-diazonio-1-phenylethenolate Traditional Name: (E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate Formula: C22H26N2O4S MolecularWeight: 414.51784

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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(C2=CC=CC=C2)[O-])[N+]#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)/C(=C(\C2=CC=CC=C2)/[O-])/[N+]#N

InChI

InChI=1S/C22H26N2O4S/c1-5-6-14-28-18-13-12-17(22(2,3)4)15-19(18)29(26,27)21(24-23)20(25)16-10-8-7-9-11-16/h7-13,15H,5-6,14H2,1-4H3/b21-20+