disodium [2-(3-butoxyphenyl)-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(3-butoxyphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3-butoxyphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-butoxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-butoxyphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(3-butoxyphenyl)-2-(caprylylamino)ethyl] phosphate Formula: C20H32NNa2O6P MolecularWeight: 459.424481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34NO6P.2Na/c1-3-5-7-8-9-13-20(22)21-19(16-27-28(23,24)25)17-11-10-12-18(15-17)26-14-6-4-2;;/h10-12,15,19H,3-9,13-14,16H2,1-2H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2