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

Systemtic Name: (E)-2-(2-butoxy-5-methyl-phenyl)sulfonyl-2-diazonio-1-naphthalen-2-yl-ethenolate Openeye Name: (E)-2-(2-butoxy-5-methyl-phenyl)sulfonyl-2-diazonio-1-(2-naphthyl)ethenolate CAS Name: (E)-2-(2-butoxy-5-methylphenyl)sulfonyl-2-diazonio-1-(2-naphthalenyl)ethenolate IUPAC Name: (E)-2-(2-butoxy-5-methylphenyl)sulfonyl-2-diazonio-1-naphthalen-2-ylethenolate Traditional Name: (E)-2-(2-butoxy-5-methyl-phenyl)sulfonyl-2-diazonio-1-(2-naphthyl)ethenolate Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S/c1-3-4-13-29-20-12-9-16(2)14-21(20)30(27,28)23(25-24)22(26)19-11-10-17-7-5-6-8-18(17)15-19/h5-12,14-15H,3-4,13H2,1-2H3/b23-22+