3-chloranyl-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-chloranyl-4-(4-methylphenyl)sulfanyl-benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 3-chloro-4-(p-tolylsulfanyl)benzenediazonium; trifluoromethanesulfonate CAS Name: 3-chloro-4-[(4-methylphenyl)thio]benzenediazonium; trifluoromethanesulfonate IUPAC Name: 3-chloro-4-(4-methylphenyl)sulfanylbenzenediazonium; trifluoromethanesulfonate Traditional Name: 3-chloro-4-(p-tolylthio)benzenediazonium triflate Formula: C14H10ClF3N2O3S2 MolecularWeight: 410.81901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN2S.CHF3O3S/c1-9-2-5-11(6-3-9)17-13-7-4-10(16-15)8-12(13)14;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1