(E)-1-diazonio-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate

Systemtic Name: (E)-1-diazonio-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Openeye Name: (E)-1-diazonio-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate CAS Name: (E)-1-diazonio-4-(4,5-dibutoxy-2-methylphenyl)sulfonyl-3,3-dimethyl-1-buten-2-olate IUPAC Name: (E)-1-diazonio-4-(4,5-dibutoxy-2-methylphenyl)sulfonyl-3,3-dimethylbut-1-en-2-olate Traditional Name: (E)-1-diazonio-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-3,3-dimethyl-but-1-en-2-olate Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-6-8-10-27-17-12-16(3)19(13-18(17)28-11-9-7-2)29(25,26)15-21(4,5)20(24)14-23-22/h12-14H,6-11,15H2,1-5H3/b20-14+