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

Systemtic Name: disodium [2-(octanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-phenylethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-phenyl-ethyl] phosphate Formula: C16H24NNa2O5P MolecularWeight: 387.318761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26NO5P.2Na/c1-2-3-4-5-9-12-16(18)17-15(13-22-23(19,20)21)14-10-7-6-8-11-14;;/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,17,18)(H2,19,20,21);;/q;2*+1/p-2