disodium [2-(3,5-dimethoxyphenyl)-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(3,5-dimethoxyphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3,5-dimethoxyphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3,5-dimethoxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3,5-dimethoxyphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3,5-dimethoxyphenyl)ethyl] phosphate Formula: C18H28NNa2O7P MolecularWeight: 447.370721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30NO7P.2Na/c1-4-5-6-7-8-9-18(20)19-17(13-26-27(21,22)23)14-10-15(24-2)12-16(11-14)25-3;;/h10-12,17H,4-9,13H2,1-3H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2