disodium [2-(octanoylamino)-2-thiophen-2-yl-ethyl] phosphate

Systemtic Name: disodium [2-(octanoylamino)-2-thiophen-2-yl-ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-(2-thienyl)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-thiophen-2-ylethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-thiophen-2-ylethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(2-thienyl)ethyl] phosphate Formula: C14H22NNa2O5PS MolecularWeight: 393.346481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CS1.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CS1.[Na+].[Na+]

InChI

InChI=1S/C14H24NO5PS.2Na/c1-2-3-4-5-6-9-14(16)15-12(11-20-21(17,18)19)13-8-7-10-22-13;;/h7-8,10,12H,2-6,9,11H2,1H3,(H,15,16)(H2,17,18,19);;/q;2*+1/p-2