2-(2,5-dibutoxy-4-octoxy-phenyl)sulfanylbenzenediazonium hexafluorophosphate

Systemtic Name: 2-(2,5-dibutoxy-4-octoxy-phenyl)sulfanylbenzenediazonium hexafluorophosphate Openeye Name: 2-(2,5-dibutoxy-4-octoxy-phenyl)sulfanylbenzenediazonium hexafluorophosphate CAS Name: 2-[(2,5-dibutoxy-4-octoxyphenyl)thio]benzenediazonium hexafluorophosphate IUPAC Name: 2-(2,5-dibutoxy-4-octoxyphenyl)sulfanylbenzenediazonium hexafluorophosphate Traditional Name: 2-[(2,5-dibutoxy-4-octoxy-phenyl)thio]benzenediazonium hexafluorophosphate Formula: C28H41F6N2O3PS MolecularWeight: 630.66592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1OCCCC)SC2=CC=CC=C2[N+]#N)OCCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1OCCCC)SC2=CC=CC=C2[N+]#N)OCCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C28H41N2O3S.F6P/c1-4-7-10-11-12-15-20-32-24-21-26(33-19-9-6-3)28(22-25(24)31-18-8-5-2)34-27-17-14-13-16-23(27)30-29;1-7(2,3,4,5)6/h13-14,16-17,21-22H,4-12,15,18-20H2,1-3H3;/q+1;-1