disodium [1-[3-(hydroxymethyl)phenyl]-1-(octanoylamino)propan-2-yl] phosphate

Systemtic Name: disodium [1-[3-(hydroxymethyl)phenyl]-1-(octanoylamino)propan-2-yl] phosphate Openeye Name: disodium [2-[3-(hydroxymethyl)phenyl]-1-methyl-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [1-[3-(hydroxymethyl)phenyl]-1-(1-oxooctylamino)propan-2-yl] phosphate IUPAC Name: disodium [1-[3-(hydroxymethyl)phenyl]-1-(octanoylamino)propan-2-yl] phosphate Traditional Name: disodium [2-(caprylylamino)-1-methyl-2-(3-methylolphenyl)ethyl] phosphate Formula: C18H28NNa2O6P MolecularWeight: 431.371321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C1=CC=CC(=C1)CO)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(C1=CC=CC(=C1)CO)C(C)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C18H30NO6P.2Na/c1-3-4-5-6-7-11-17(21)19-18(14(2)25-26(22,23)24)16-10-8-9-15(12-16)13-20;;/h8-10,12,14,18,20H,3-7,11,13H2,1-2H3,(H,19,21)(H2,22,23,24);;/q;2*+1/p-2