disodium [2-(3-chlorophenyl)-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(3-chlorophenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(3-chlorophenyl)-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(3-chlorophenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(3-chlorophenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-chlorophenyl)ethyl] phosphate Formula: C16H23ClNNa2O5P MolecularWeight: 421.763821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClNO5P.2Na/c1-2-3-4-5-6-10-16(19)18-15(12-23-24(20,21)22)13-8-7-9-14(17)11-13;;/h7-9,11,15H,2-6,10,12H2,1H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2