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

Systemtic Name: disodium [2-[3-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-[3-(2-ethoxy-2-oxo-ethoxy)phenyl]-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-[3-(2-ethoxy-2-oxoethoxy)phenyl]-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-[3-(2-ethoxy-2-oxoethoxy)phenyl]-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(2-ethoxy-2-keto-ethoxy)phenyl]ethyl] phosphate Formula: C20H30NNa2O8P MolecularWeight: 489.407401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32NO8P.2Na/c1-3-5-6-7-8-12-19(22)21-18(14-29-30(24,25)26)16-10-9-11-17(13-16)28-15-20(23)27-4-2;;/h9-11,13,18H,3-8,12,14-15H2,1-2H3,(H,21,22)(H2,24,25,26);;/q;2*+1/p-2