(3,5-ditert-butylphenyl)methyl-(2-sulfanylethyl)azanium hexafluorophosphate

Systemtic Name: (3,5-ditert-butylphenyl)methyl-(2-sulfanylethyl)azanium hexafluorophosphate Openeye Name: (3,5-ditert-butylphenyl)methyl-(2-sulfanylethyl)ammonium hexafluorophosphate CAS Name: (3,5-ditert-butylphenyl)methyl-(2-mercaptoethyl)ammonium hexafluorophosphate IUPAC Name: (3,5-ditert-butylphenyl)methyl-(2-sulfanylethyl)azanium hexafluorophosphate Traditional Name: (3,5-ditert-butylbenzyl)-(2-mercaptoethyl)ammonium hexafluorophosphate Formula: C17H30F6NPS MolecularWeight: 425.45598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NS.F6P/c1-16(2,3)14-9-13(12-18-7-8-19)10-15(11-14)17(4,5)6;1-7(2,3,4,5)6/h9-11,18-19H,7-8,12H2,1-6H3;/q;-1/p+1