butanenitrile; ethyl(octadecan-2-yl)sulfanium; tetrafluoroborate

Systemtic Name: butanenitrile; ethyl(octadecan-2-yl)sulfanium; tetrafluoroborate Openeye Name: butanenitrile; ethyl(1-methylheptadecyl)sulfonium; tetrafluoroborate CAS Name: butanenitrile; ethyl(octadecan-2-yl)sulfonium; tetrafluoroborate IUPAC Name: butanenitrile; ethyl(octadecan-2-yl)sulfanium; tetrafluoroborate Traditional Name: butyronitrile; ethyl(1-methylheptadecyl)sulfonium; tetrafluoroborate Formula: C24H50BF4NS MolecularWeight: 471.530113

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCC(C)[SH+]CC.CCCC#N

Isomeric SMILES

[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCC(C)[SH+]CC.CCCC#N

InChI

InChI=1S/C20H42S.C4H7N.BF4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)21-5-2;1-2-3-4-5;2-1(3,4)5/h20H,4-19H2,1-3H3;2-3H2,1H3;/q;;-1/p+1