2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; 1,1,2,3,3,3-hexakis(fluoranyl)propane-1-sulfonate

Systemtic Name: 2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; 1,1,2,3,3,3-hexakis(fluoranyl)propane-1-sulfonate Openeye Name: 2,5-diethoxy-4-(p-tolylsulfanyl)benzenediazonium; 1,1,2,3,3,3-hexafluoropropane-1-sulfonate CAS Name: 2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium; 1,1,2,3,3,3-hexafluoro-1-propanesulfonate IUPAC Name: 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium; 1,1,2,3,3,3-hexafluoropropane-1-sulfonate Traditional Name: 2,5-diethoxy-4-(p-tolylthio)benzenediazonium; 1,1,2,3,3,3-hexafluoropropane-1-sulfonate Formula: C20H20F6N2O5S2 MolecularWeight: 546.503619

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.C(C(F)(F)F)(C(F)(F)S(=O)(=O)[O-])F

Isomeric SMILES

CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C.C(C(F)(F)F)(C(F)(F)S(=O)(=O)[O-])F

InChI

InChI=1S/C17H19N2O2S.C3H2F6O3S/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;4-1(2(5,6)7)3(8,9)13(10,11)12/h6-11H,4-5H2,1-3H3;1H,(H,10,11,12)/q+1;/p-1