2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,5-diethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 2,5-diethoxy-4-(p-tolylsulfanyl)benzenediazonium; trifluoromethanesulfonate CAS Name: 2,5-diethoxy-4-[(4-methylphenyl)thio]benzenediazonium; trifluoromethanesulfonate IUPAC Name: 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium; trifluoromethanesulfonate Traditional Name: 2,5-diethoxy-4-(p-tolylthio)benzenediazonium triflate Formula: C18H19F3N2O5S2 MolecularWeight: 464.47907

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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(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H19N2O2S.CHF3O3S/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13;2-1(3,4)8(5,6)7/h6-11H,4-5H2,1-3H3;(H,5,6,7)/q+1;/p-1