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

Systemtic Name: disodium [2-(3-hexoxyphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3-hexoxyphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-hexoxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-hexoxyphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-hexoxyphenyl)ethyl] phosphate Formula: C22H36NNa2O6P MolecularWeight: 487.477641

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO6P.2Na/c1-3-5-7-9-10-15-22(24)23-21(18-29-30(25,26)27)19-13-12-14-20(17-19)28-16-11-8-6-4-2;;/h12-14,17,21H,3-11,15-16,18H2,1-2H3,(H,23,24)(H2,25,26,27);;/q;2*+1/p-2