(E)-1-(5-tert-butyl-2-pentoxy-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate

Systemtic Name: (E)-1-(5-tert-butyl-2-pentoxy-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-(5-tert-butyl-2-pentoxy-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-(5-tert-butyl-2-pentoxyphenyl)sulfonyl-1-diazonio-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-(5-tert-butyl-2-pentoxyphenyl)sulfonyl-1-diazonio-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-(2-amoxy-5-tert-butyl-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O4S/c1-8-9-10-13-27-16-12-11-15(20(2,3)4)14-17(16)28(25,26)19(23-22)18(24)21(5,6)7/h11-12,14H,8-10,13H2,1-7H3/b19-18+