disodium [2-[methyl(octanoyl)amino]-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-[methyl(octanoyl)amino]-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-[methyl(octanoyl)amino]-2-phenyl-ethyl] phosphate CAS Name: disodium [2-[methyl(1-oxooctyl)amino]-2-phenylethyl] phosphate IUPAC Name: disodium [2-[methyl(octanoyl)amino]-2-phenylethyl] phosphate Traditional Name: disodium [2-[caprylyl(methyl)amino]-2-phenyl-ethyl] phosphate Formula: C17H26NNa2O5P MolecularWeight: 401.345341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(C)C(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)N(C)C(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

InChI

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