2-(2,5-diethoxy-4-octoxy-phenyl)-3-sulfanyl-benzenediazonium hexafluorophosphate

Systemtic Name: 2-(2,5-diethoxy-4-octoxy-phenyl)-3-sulfanyl-benzenediazonium hexafluorophosphate Openeye Name: 2-(2,5-diethoxy-4-octoxy-phenyl)-3-sulfanyl-benzenediazonium hexafluorophosphate CAS Name: 2-(2,5-diethoxy-4-octoxyphenyl)-3-mercaptobenzenediazonium hexafluorophosphate IUPAC Name: 2-(2,5-diethoxy-4-octoxyphenyl)-3-sulfanylbenzenediazonium hexafluorophosphate Traditional Name: 2-(2,5-diethoxy-4-octoxy-phenyl)-3-mercapto-benzenediazonium hexafluorophosphate Formula: C24H33F6N2O3PS MolecularWeight: 574.5596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)OCC)C2=C(C=CC=C2S)[N+]#N)OCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)OCC)C2=C(C=CC=C2S)[N+]#N)OCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C24H32N2O3S.F6P/c1-4-7-8-9-10-11-15-29-22-17-20(27-5-2)18(16-21(22)28-6-3)24-19(26-25)13-12-14-23(24)30;1-7(2,3,4,5)6/h12-14,16-17H,4-11,15H2,1-3H3;/q;-1/p+1