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

Systemtic Name: [4-ethylsulfanyl-3-(phenylmethyl)phenyl]-octadecyl-oxidanium tetrafluoroborate Openeye Name: (3-benzyl-4-ethylsulfanyl-phenyl)-octadecyl-oxonium tetrafluoroborate CAS Name: [4-(ethylthio)-3-(phenylmethyl)phenyl]-octadecyloxonium tetrafluoroborate IUPAC Name: (3-benzyl-4-ethylsulfanylphenyl)-octadecyloxidanium tetrafluoroborate Traditional Name: [3-benzyl-4-(ethylthio)phenyl]-stearyl-oxonium tetrafluoroborate Formula: C33H53BF4OS MolecularWeight: 584.642933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52OS.BF4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-34-32-25-26-33(35-4-2)31(29-32)28-30-23-20-19-21-24-30;2-1(3,4)5/h19-21,23-26,29H,3-18,22,27-28H2,1-2H3;/q;-1/p+1