4-[(4-methylphenyl)sulfonylamino]-3-octoxy-benzenediazonium hexafluorophosphate

Systemtic Name: 4-[(4-methylphenyl)sulfonylamino]-3-octoxy-benzenediazonium hexafluorophosphate Openeye Name: 3-octoxy-4-(p-tolylsulfonylamino)benzenediazonium hexafluorophosphate CAS Name: 4-[(4-methylphenyl)sulfonylamino]-3-octoxybenzenediazonium hexafluorophosphate IUPAC Name: 4-[(4-methylphenyl)sulfonylamino]-3-octoxybenzenediazonium hexafluorophosphate Traditional Name: 3-octoxy-4-(tosylamino)benzenediazonium hexafluorophosphate Formula: C21H28F6N3O3PS MolecularWeight: 547.4945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N3O3S.F6P/c1-3-4-5-6-7-8-15-27-21-16-18(23-22)11-14-20(21)24-28(25,26)19-12-9-17(2)10-13-19;1-7(2,3,4,5)6/h9-14,16,24H,3-8,15H2,1-2H3;/q+1;-1