disodium [2-(octanoylamino)-2-[3-(trifluoromethyl)phenyl]ethyl] phosphate

Systemtic Name: disodium [2-(octanoylamino)-2-[3-(trifluoromethyl)phenyl]ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-[3-(trifluoromethyl)phenyl]ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-[3-(trifluoromethyl)phenyl]ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-[3-(trifluoromethyl)phenyl]ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(trifluoromethyl)phenyl]ethyl] phosphate Formula: C17H23F3NNa2O5P MolecularWeight: 455.316731

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)C(F)(F)F.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)C(F)(F)F.[Na+].[Na+]

InChI

InChI=1S/C17H25F3NO5P.2Na/c1-2-3-4-5-6-10-16(22)21-15(12-26-27(23,24)25)13-8-7-9-14(11-13)17(18,19)20;;/h7-9,11,15H,2-6,10,12H2,1H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2