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

Systemtic Name: (E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-naphthalen-2-yl-ethenolate Openeye Name: (E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-(2-naphthyl)ethenolate CAS Name: (E)-2-(2-butoxy-5-tert-butylphenyl)sulfonyl-2-diazonio-1-(2-naphthalenyl)ethenolate IUPAC Name: (E)-2-(2-butoxy-5-tert-butylphenyl)sulfonyl-2-diazonio-1-naphthalen-2-ylethenolate Traditional Name: (E)-2-(2-butoxy-5-tert-butyl-phenyl)sulfonyl-2-diazonio-1-(2-naphthyl)ethenolate Formula: C26H28N2O4S MolecularWeight: 464.57652

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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=CC3=CC=CC=C3C=C2)[O-])[N+]#N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)/C(=C(\C2=CC3=CC=CC=C3C=C2)/[O-])/[N+]#N

InChI

InChI=1S/C26H28N2O4S/c1-5-6-15-32-22-14-13-21(26(2,3)4)17-23(22)33(30,31)25(28-27)24(29)20-12-11-18-9-7-8-10-19(18)16-20/h7-14,16-17H,5-6,15H2,1-4H3/b25-24+