3-butyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium hexafluorophosphate

Systemtic Name: 3-butyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium hexafluorophosphate Openeye Name: 3-butyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium hexafluorophosphate CAS Name: 3-butyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium hexafluorophosphate IUPAC Name: 3-butyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium hexafluorophosphate Traditional Name: 3-butyl-2-butylimino-5-octoxy-1,3-benzothiazole-6-diazonium hexafluorophosphate Formula: C23H37F6N4OPS MolecularWeight: 562.59526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1[N+]#N)SC(=NCCCC)N2CCCC.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1[N+]#N)SC(=NCCCC)N2CCCC.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C23H37N4OS.F6P/c1-4-7-10-11-12-13-16-28-21-18-20-22(17-19(21)26-24)29-23(25-14-8-5-2)27(20)15-9-6-3;1-7(2,3,4,5)6/h17-18H,4-16H2,1-3H3;/q+1;-1