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

Systemtic Name: disodium [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] phosphate Openeye Name: disodium [2-(3-benzyloxyphenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-(3-phenylmethoxyphenyl)ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-(3-phenylmethoxyphenyl)ethyl] phosphate Traditional Name: disodium [2-(3-benzoxyphenyl)-2-(caprylylamino)ethyl] phosphate Formula: C23H30NNa2O6P MolecularWeight: 493.440701

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OCC2=CC=CC=C2.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC(=CC=C1)OCC2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C23H32NO6P.2Na/c1-2-3-4-5-9-15-23(25)24-22(18-30-31(26,27)28)20-13-10-14-21(16-20)29-17-19-11-7-6-8-12-19;;/h6-8,10-14,16,22H,2-5,9,15,17-18H2,1H3,(H,24,25)(H2,26,27,28);;/q;2*+1/p-2