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

Systemtic Name: butanenitrile; dodecan-2-yl(ethyl)sulfanium; tetrafluoroborate Openeye Name: butanenitrile; ethyl(1-methylundecyl)sulfonium; tetrafluoroborate CAS Name: butanenitrile; dodecan-2-yl(ethyl)sulfonium; tetrafluoroborate IUPAC Name: butanenitrile; dodecan-2-yl(ethyl)sulfanium; tetrafluoroborate Traditional Name: butyronitrile; ethyl(1-methylundecyl)sulfonium; tetrafluoroborate Formula: C18H38BF4NS MolecularWeight: 387.370633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30S.C4H7N.BF4/c1-4-6-7-8-9-10-11-12-13-14(3)15-5-2;1-2-3-4-5;2-1(3,4)5/h14H,4-13H2,1-3H3;2-3H2,1H3;/q;;-1/p+1