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

Systemtic Name: disodium [1-(octanoylamino)-1-phenyl-propan-2-yl] phosphate Openeye Name: disodium [1-methyl-2-(octanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [1-(1-oxooctylamino)-1-phenylpropan-2-yl] phosphate IUPAC Name: disodium [1-(octanoylamino)-1-phenylpropan-2-yl] phosphate Traditional Name: disodium [2-(caprylylamino)-1-methyl-2-phenyl-ethyl] phosphate Formula: C17H26NNa2O5P MolecularWeight: 401.345341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28NO5P.2Na/c1-3-4-5-6-10-13-16(19)18-17(14(2)23-24(20,21)22)15-11-8-7-9-12-15;;/h7-9,11-12,14,17H,3-6,10,13H2,1-2H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2