disodium [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate

Systemtic Name: disodium [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-1,2-diphenyl-ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-1,2-diphenylethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-1,2-diphenylethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-1,2-diphenyl-ethyl] phosphate Formula: C22H28NNa2O5P MolecularWeight: 463.414721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(C1=CC=CC=C1)C(C2=CC=CC=C2)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H30NO5P.2Na/c1-2-3-4-5-12-17-20(24)23-21(18-13-8-6-9-14-18)22(28-29(25,26)27)19-15-10-7-11-16-19;;/h6-11,13-16,21-22H,2-5,12,17H2,1H3,(H,23,24)(H2,25,26,27);;/q;2*+1/p-2