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

Systemtic Name: disodium [2-[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-[3-(2-methoxy-2-oxo-ethyl)phenyl]-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-[3-(2-methoxy-2-oxoethyl)phenyl]-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-[3-(2-methoxy-2-oxoethyl)phenyl]-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(2-keto-2-methoxy-ethyl)phenyl]ethyl] phosphate Formula: C19H28NNa2O7P MolecularWeight: 459.381421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30NO7P.2Na/c1-3-4-5-6-7-11-18(21)20-17(14-27-28(23,24)25)16-10-8-9-15(12-16)13-19(22)26-2;;/h8-10,12,17H,3-7,11,13-14H2,1-2H3,(H,20,21)(H2,23,24,25);;/q;2*+1/p-2