(E)-1-diazonio-1-(3,4-dibutoxyphenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-1-(3,4-dibutoxyphenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-1-(3,4-dibutoxyphenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-1-(3,4-dibutoxyphenyl)sulfonyl-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-1-(3,4-dibutoxyphenyl)sulfonyl-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-1-(3,4-dibutoxyphenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)C(=C(C(C)(C)C)[O-])[N+]#N)OCCCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)/C(=C(\C(C)(C)C)/[O-])/[N+]#N)OCCCC

InChI

InChI=1S/C20H30N2O5S/c1-6-8-12-26-16-11-10-15(14-17(16)27-13-9-7-2)28(24,25)19(22-21)18(23)20(3,4)5/h10-11,14H,6-9,12-13H2,1-5H3/b19-18+