3-chloranyl-4-(dioctylamino)-2-octoxy-benzenediazonium hexafluorophosphate

Systemtic Name: 3-chloranyl-4-(dioctylamino)-2-octoxy-benzenediazonium hexafluorophosphate Openeye Name: 3-chloro-4-(dioctylamino)-2-octoxy-benzenediazonium hexafluorophosphate CAS Name: 3-chloro-4-(dioctylamino)-2-octoxybenzenediazonium hexafluorophosphate IUPAC Name: 3-chloro-4-(dioctylamino)-2-octoxybenzenediazonium hexafluorophosphate Traditional Name: 3-chloro-4-(dioctylamino)-2-octoxy-benzenediazonium hexafluorophosphate Formula: C30H53ClF6N3OP MolecularWeight: 652.1785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=C(C(=C(C=C1)[N+]#N)OCCCCCCCC)Cl.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=C(C(=C(C=C1)[N+]#N)OCCCCCCCC)Cl.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C30H53ClN3O.F6P/c1-4-7-10-13-16-19-24-34(25-20-17-14-11-8-5-2)28-23-22-27(33-32)30(29(28)31)35-26-21-18-15-12-9-6-3;1-7(2,3,4,5)6/h22-23H,4-21,24-26H2,1-3H3;/q+1;-1