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

Systemtic Name: 2,5-dimethoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 2,5-dimethoxy-4-(p-tolylsulfanyl)benzenediazonium; trifluoromethanesulfonate CAS Name: 2,5-dimethoxy-4-[(4-methylphenyl)thio]benzenediazonium; trifluoromethanesulfonate IUPAC Name: 2,5-dimethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium; trifluoromethanesulfonate Traditional Name: 2,5-dimethoxy-4-(p-tolylthio)benzenediazonium triflate Formula: C16H15F3N2O5S2 MolecularWeight: 436.42591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)[N+]#N)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)[N+]#N)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H15N2O2S.CHF3O3S/c1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3;2-1(3,4)8(5,6)7/h4-9H,1-3H3;(H,5,6,7)/q+1;/p-1