(E)-2-diazonio-2-(5-methyl-2-pentoxy-phenyl)sulfonyl-1-phenyl-ethenolate

Systemtic Name: (E)-2-diazonio-2-(5-methyl-2-pentoxy-phenyl)sulfonyl-1-phenyl-ethenolate Openeye Name: (E)-2-diazonio-2-(5-methyl-2-pentoxy-phenyl)sulfonyl-1-phenyl-ethenolate CAS Name: (E)-2-diazonio-2-(5-methyl-2-pentoxyphenyl)sulfonyl-1-phenylethenolate IUPAC Name: (E)-2-diazonio-2-(5-methyl-2-pentoxyphenyl)sulfonyl-1-phenylethenolate Traditional Name: (E)-2-(2-amoxy-5-methyl-phenyl)sulfonyl-2-diazonio-1-phenyl-ethenolate Formula: C20H22N2O4S MolecularWeight: 386.46468

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-3-4-8-13-26-17-12-11-15(2)14-18(17)27(24,25)20(22-21)19(23)16-9-6-5-7-10-16/h5-7,9-12,14H,3-4,8,13H2,1-2H3/b20-19+