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

Systemtic Name: disodium [2-(hexanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(hexanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-(1-oxohexylamino)-2-phenylethyl] phosphate IUPAC Name: disodium [2-(hexanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-(caproylamino)-2-phenyl-ethyl] phosphate Formula: C14H20NNa2O5P MolecularWeight: 359.265601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NO5P.2Na/c1-2-3-5-10-14(16)15-13(11-20-21(17,18)19)12-8-6-4-7-9-12;;/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,15,16)(H2,17,18,19);;/q;2*+1/p-2