octadecyl-[4-(phenylmethylsulfanyl)phenyl]oxidanium hexafluorophosphate

Systemtic Name: octadecyl-[4-(phenylmethylsulfanyl)phenyl]oxidanium hexafluorophosphate Openeye Name: (4-benzylsulfanylphenyl)-octadecyl-oxonium hexafluorophosphate CAS Name: octadecyl-[4-(phenylmethylthio)phenyl]oxonium hexafluorophosphate IUPAC Name: (4-benzylsulfanylphenyl)-octadecyloxidanium hexafluorophosphate Traditional Name: [4-(benzylthio)phenyl]-stearyl-oxonium hexafluorophosphate Formula: C31H49F6OPS MolecularWeight: 614.74934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[OH+]C1=CC=C(C=C1)SCC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[OH+]C1=CC=C(C=C1)SCC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C31H48OS.F6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-30-23-25-31(26-24-30)33-28-29-21-18-17-19-22-29;1-7(2,3,4,5)6/h17-19,21-26H,2-16,20,27-28H2,1H3;/q;-1/p+1