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

Systemtic Name: (E)-3,3-dimethyl-1-(5-methyl-2-pentoxy-phenyl)sulfonyl-2-oxidanyl-but-1-ene-1-diazonium Openeye Name: (E)-2-hydroxy-3,3-dimethyl-1-(5-methyl-2-pentoxy-phenyl)sulfonyl-but-1-ene-1-diazonium CAS Name: (E)-2-hydroxy-3,3-dimethyl-1-(5-methyl-2-pentoxyphenyl)sulfonyl-1-butene-1-diazonium IUPAC Name: (E)-2-hydroxy-3,3-dimethyl-1-(5-methyl-2-pentoxyphenyl)sulfonylbut-1-ene-1-diazonium Traditional Name: (E)-1-(2-amoxy-5-methyl-phenyl)sulfonyl-2-hydroxy-3,3-dimethyl-but-1-ene-1-diazonium Formula: C18H27N2O4S+ MolecularWeight: 367.48298

Click to see the large picture

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/p+1/b17-16+