(4-tert-butylphenyl)methyl-[(4-carboxyphenyl)methyl]azanium hexafluorophosphate

Systemtic Name: (4-tert-butylphenyl)methyl-[(4-carboxyphenyl)methyl]azanium hexafluorophosphate Openeye Name: (4-tert-butylphenyl)methyl-[(4-carboxyphenyl)methyl]ammonium hexafluorophosphate CAS Name: (4-tert-butylphenyl)methyl-[(4-carboxyphenyl)methyl]ammonium hexafluorophosphate IUPAC Name: (4-tert-butylphenyl)methyl-[(4-carboxyphenyl)methyl]azanium hexafluorophosphate Traditional Name: (4-tert-butylbenzyl)-(4-carboxybenzyl)ammonium hexafluorophosphate Formula: C19H24F6NO2P MolecularWeight: 443.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)O.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C19H23NO2.F6P/c1-19(2,3)17-10-6-15(7-11-17)13-20-12-14-4-8-16(9-5-14)18(21)22;1-7(2,3,4,5)6/h4-11,20H,12-13H2,1-3H3,(H,21,22);/q;-1/p+1