butyl-(9-butylsulfanylphenalen-1-ylidene)oxidanium tetrafluoroborate

Systemtic Name: butyl-(9-butylsulfanylphenalen-1-ylidene)oxidanium tetrafluoroborate Openeye Name: butyl-(9-butylsulfanylphenalen-1-ylidene)oxonium tetrafluoroborate CAS Name: butyl-[9-(butylthio)-1-phenalenylidene]oxonium tetrafluoroborate IUPAC Name: butyl-(9-butylsulfanylphenalen-1-ylidene)oxidanium tetrafluoroborate Traditional Name: butyl-[9-(butylthio)phenalen-1-ylidene]oxonium tetrafluoroborate Formula: C21H25BF4OS MolecularWeight: 412.292213

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCC[O+]=C1C=CC2=CC=CC3=C2C1=C(C=C3)SCCCC

Isomeric SMILES

[B-](F)(F)(F)F.CCCC[O+]=C1C=CC2=CC=CC3=C2C1=C(C=C3)SCCCC

InChI

InChI=1S/C21H25OS.BF4/c1-3-5-14-22-18-12-10-16-8-7-9-17-11-13-19(21(18)20(16)17)23-15-6-4-2;2-1(3,4)5/h7-13H,3-6,14-15H2,1-2H3;/q+1;-1