(E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-hexoxyphenyl)sulfonyl-ethenolate

Systemtic Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-hexoxyphenyl)sulfonyl-ethenolate Openeye Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-hexoxyphenyl)sulfonyl-ethenolate CAS Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-hexoxyphenyl)sulfonylethenolate IUPAC Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-hexoxyphenyl)sulfonylethenolate Traditional Name: (E)-2-diazonio-1-(2,4-dimethylphenyl)-2-(4-hexoxyphenyl)sulfonyl-ethenolate Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)S(=O)(=O)C(=C(C2=C(C=C(C=C2)C)C)[O-])[N+]#N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)S(=O)(=O)/C(=C(\C2=C(C=C(C=C2)C)C)/[O-])/[N+]#N

InChI

InChI=1S/C22H26N2O4S/c1-4-5-6-7-14-28-18-9-11-19(12-10-18)29(26,27)22(24-23)21(25)20-13-8-16(2)15-17(20)3/h8-13,15H,4-7,14H2,1-3H3/b22-21+