2-hexoxy-4-[1-(4-methoxyphenoxy)octan-3-ylamino]benzenediazonium hexafluorophosphate

Systemtic Name: 2-hexoxy-4-[1-(4-methoxyphenoxy)octan-3-ylamino]benzenediazonium hexafluorophosphate Openeye Name: 2-hexoxy-4-[1-[2-(4-methoxyphenoxy)ethyl]hexylamino]benzenediazonium hexafluorophosphate CAS Name: 2-hexoxy-4-[1-(4-methoxyphenoxy)octan-3-ylamino]benzenediazonium hexafluorophosphate IUPAC Name: 2-hexoxy-4-[1-(4-methoxyphenoxy)octan-3-ylamino]benzenediazonium hexafluorophosphate Traditional Name: 2-hexoxy-4-[1-[2-(4-methoxyphenoxy)ethyl]hexylamino]benzenediazonium hexafluorophosphate Formula: C27H40F6N3O3P MolecularWeight: 599.58898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)NC(CCCCC)CCOC2=CC=C(C=C2)OC)[N+]#N.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1)NC(CCCCC)CCOC2=CC=C(C=C2)OC)[N+]#N.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C27H40N3O3.F6P/c1-4-6-8-10-19-33-27-21-23(12-17-26(27)30-28)29-22(11-9-7-5-2)18-20-32-25-15-13-24(31-3)14-16-25;1-7(2,3,4,5)6/h12-17,21-22,29H,4-11,18-20H2,1-3H3;/q+1;-1