(E)-2-diazonio-2-(2-methyl-4,5-dipentoxy-phenyl)sulfonyl-1-phenyl-ethenolate

Systemtic Name: (E)-2-diazonio-2-(2-methyl-4,5-dipentoxy-phenyl)sulfonyl-1-phenyl-ethenolate Openeye Name: (E)-2-diazonio-2-(2-methyl-4,5-dipentoxy-phenyl)sulfonyl-1-phenyl-ethenolate CAS Name: (E)-2-diazonio-2-(2-methyl-4,5-dipentoxyphenyl)sulfonyl-1-phenylethenolate IUPAC Name: (E)-2-diazonio-2-(2-methyl-4,5-dipentoxyphenyl)sulfonyl-1-phenylethenolate Traditional Name: (E)-2-(4,5-diamoxy-2-methyl-phenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)C)S(=O)(=O)C(=C(C2=CC=CC=C2)[O-])[N+]#N)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)C)S(=O)(=O)/C(=C(\C2=CC=CC=C2)/[O-])/[N+]#N)OCCCCC

InChI

InChI=1S/C25H32N2O5S/c1-4-6-11-15-31-21-17-19(3)23(18-22(21)32-16-12-7-5-2)33(29,30)25(27-26)24(28)20-13-9-8-10-14-20/h8-10,13-14,17-18H,4-7,11-12,15-16H2,1-3H3/b25-24+