[4-octadecoxy-2-(phenylmethyl)phenyl]sulfanium hexafluorophosphate

Systemtic Name: [4-octadecoxy-2-(phenylmethyl)phenyl]sulfanium hexafluorophosphate Openeye Name: (2-benzyl-4-octadecoxy-phenyl)sulfonium hexafluorophosphate CAS Name: [4-octadecoxy-2-(phenylmethyl)phenyl]sulfonium hexafluorophosphate IUPAC Name: (2-benzyl-4-octadecoxyphenyl)sulfanium hexafluorophosphate Traditional Name: (2-benzyl-4-stearyloxy-phenyl)sulfonium hexafluorophosphate Formula: C31H49F6OPS MolecularWeight: 614.74934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)[SH2+])CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)[SH2+])CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F

InChI

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