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3-docosyl-1,3-benzoxazol-3-ium hexafluorophosphate

3-docosyl-1,3-benzoxazol-3-ium hexafluorophosphate

Systemtic Name:3-docosyl-1,3-benzoxazol-3-ium hexafluorophosphate
Openeye Name:3-docosyl-1,3-benzoxazol-3-ium hexafluorophosphate
CAS Name:3-docosyl-1,3-benzoxazol-3-ium hexafluorophosphate
IUPAC Name:3-docosyl-1,3-benzoxazol-3-ium hexafluorophosphate
Traditional Name:3-behenyl-1,3-benzoxazol-3-ium hexafluorophosphate
Formula: C29H50F6NOP
MolecularWeight: 573.67758
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=COC2=CC=CC=C21.F[P-](F)(F)(F)(F)F


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=COC2=CC=CC=C21.F[P-](F)(F)(F)(F)F


InChI

InChI=1S/C29H50NO.F6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-30-27-31-29-25-22-21-24-28(29)30;1-7(2,3,4,5)6/h21-22,24-25,27H,2-20,23,26H2,1H3;/q+1;-1


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