(E)-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium

Systemtic Name: (E)-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-3,3-dimethyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium CAS Name: (E)-4-(4,5-dibutoxy-2-methylphenyl)sulfonyl-2-hydroxy-3,3-dimethyl-1-butene-1-diazonium IUPAC Name: (E)-4-(4,5-dibutoxy-2-methylphenyl)sulfonyl-2-hydroxy-3,3-dimethylbut-1-ene-1-diazonium Traditional Name: (E)-4-(4,5-dibutoxy-2-methyl-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium Formula: C21H33N2O5S+ MolecularWeight: 425.56212

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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/p+1/b20-14+