(3,5-ditert-butylphenyl)methyl-(6-sulfanylhexyl)azanium hexafluorophosphate

Systemtic Name: (3,5-ditert-butylphenyl)methyl-(6-sulfanylhexyl)azanium hexafluorophosphate Openeye Name: (3,5-ditert-butylphenyl)methyl-(6-sulfanylhexyl)ammonium hexafluorophosphate CAS Name: (3,5-ditert-butylphenyl)methyl-(6-mercaptohexyl)ammonium hexafluorophosphate IUPAC Name: (3,5-ditert-butylphenyl)methyl-(6-sulfanylhexyl)azanium hexafluorophosphate Traditional Name: (3,5-ditert-butylbenzyl)-(6-mercaptohexyl)ammonium hexafluorophosphate Formula: C21H38F6NPS MolecularWeight: 481.5623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C[NH2+]CCCCCCS)C(C)(C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C[NH2+]CCCCCCS)C(C)(C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H37NS.F6P/c1-20(2,3)18-13-17(14-19(15-18)21(4,5)6)16-22-11-9-7-8-10-12-23;1-7(2,3,4,5)6/h13-15,22-23H,7-12,16H2,1-6H3;/q;-1/p+1