disodium [2-(2,2-dimethyloctanoylamino)-2-phenyl-ethyl] phosphate

Systemtic Name: disodium [2-(2,2-dimethyloctanoylamino)-2-phenyl-ethyl] phosphate Openeye Name: disodium [2-(2,2-dimethyloctanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [2-[(2,2-dimethyl-1-oxooctyl)amino]-2-phenylethyl] phosphate IUPAC Name: disodium [2-(2,2-dimethyloctanoylamino)-2-phenylethyl] phosphate Traditional Name: disodium [2-(2,2-dimethyloctanoylamino)-2-phenyl-ethyl] phosphate Formula: C18H28NNa2O5P MolecularWeight: 415.371921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

Isomeric SMILES

CCCCCCC(C)(C)C(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1.[Na+].[Na+]

InChI

InChI=1S/C18H30NO5P.2Na/c1-4-5-6-10-13-18(2,3)17(20)19-16(14-24-25(21,22)23)15-11-8-7-9-12-15;;/h7-9,11-12,16H,4-6,10,13-14H2,1-3H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2