[4-methylsulfanyl-3-(phenylmethyl)phenyl]-octadecyl-oxidanium tetrafluoroborate

Systemtic Name: [4-methylsulfanyl-3-(phenylmethyl)phenyl]-octadecyl-oxidanium tetrafluoroborate Openeye Name: (3-benzyl-4-methylsulfanyl-phenyl)-octadecyl-oxonium tetrafluoroborate CAS Name: [4-(methylthio)-3-(phenylmethyl)phenyl]-octadecyloxonium tetrafluoroborate IUPAC Name: (3-benzyl-4-methylsulfanylphenyl)-octadecyloxidanium tetrafluoroborate Traditional Name: [3-benzyl-4-(methylthio)phenyl]-stearyl-oxonium tetrafluoroborate Formula: C32H51BF4OS MolecularWeight: 570.616353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCC[OH+]C1=CC(=C(C=C1)SC)CC2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCCC[OH+]C1=CC(=C(C=C1)SC)CC2=CC=CC=C2

InChI

InChI=1S/C32H50OS.BF4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-33-31-24-25-32(34-2)30(28-31)27-29-22-19-18-20-23-29;2-1(3,4)5/h18-20,22-25,28H,3-17,21,26-27H2,1-2H3;/q;-1/p+1