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

Systemtic Name: (E)-1-diazonio-3,3-dimethyl-1-(5-methyl-2-pentoxy-phenyl)sulfonyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-3,3-dimethyl-1-(5-methyl-2-pentoxy-phenyl)sulfonyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-3,3-dimethyl-1-(5-methyl-2-pentoxyphenyl)sulfonyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-3,3-dimethyl-1-(5-methyl-2-pentoxyphenyl)sulfonylbut-1-en-2-olate Traditional Name: (E)-1-(2-amoxy-5-methyl-phenyl)sulfonyl-1-diazonio-3,3-dimethyl-but-1-en-2-olate Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-6-7-8-11-24-14-10-9-13(2)12-15(14)25(22,23)17(20-19)16(21)18(3,4)5/h9-10,12H,6-8,11H2,1-5H3/b17-16+