(1S,2R,5R)-5,8,8-trimethyl-3-methylsulfanyl-2-(phenylmethyl)-3-thioniabicyclo[3.2.1]octane tetrafluoroborate

Systemtic Name: (1S,2R,5R)-5,8,8-trimethyl-3-methylsulfanyl-2-(phenylmethyl)-3-thioniabicyclo[3.2.1]octane tetrafluoroborate Openeye Name: (1S,2R,5R)-2-benzyl-5,8,8-trimethyl-3-methylsulfanyl-3-thioniabicyclo[3.2.1]octane tetrafluoroborate CAS Name: (1S,2R,5R)-5,8,8-trimethyl-3-(methylthio)-2-(phenylmethyl)-3-thioniabicyclo[3.2.1]octane tetrafluoroborate IUPAC Name: (1S,2R,5R)-2-benzyl-5,8,8-trimethyl-3-methylsulfanyl-3-thioniabicyclo[3.2.1]octane tetrafluoroborate Traditional Name: (1S,2R,5R)-2-benzyl-5,8,8-trimethyl-3-(methylthio)-3-thioniabicyclo[3.2.1]octane tetrafluoroborate Formula: C18H27BF4S2 MolecularWeight: 394.341593

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1(C2CCC1(C[S+](C2CC3=CC=CC=C3)SC)C)C

Isomeric SMILES

[B-](F)(F)(F)F.C[C@@]12CC[C@@H](C1(C)C)[C@H]([S+](C2)SC)CC3=CC=CC=C3

InChI

InChI=1S/C18H27S2.BF4/c1-17(2)15-10-11-18(17,3)13-20(19-4)16(15)12-14-8-6-5-7-9-14;2-1(3,4)5/h5-9,15-16H,10-13H2,1-4H3;/q+1;-1/t15-,16-,18+,20?;/m1./s1