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

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

Systemtic Name:disodium [2-(2-chlorophenyl)-2-(octanoylamino)ethyl] phosphate
Openeye Name:disodium [2-(2-chlorophenyl)-2-(octanoylamino)ethyl] phosphate
CAS Name:disodium [2-(2-chlorophenyl)-2-(1-oxooctylamino)ethyl] phosphate
IUPAC Name:disodium [2-(2-chlorophenyl)-2-(octanoylamino)ethyl] phosphate
Traditional Name:disodium [2-(caprylylamino)-2-(2-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=C1Cl.[Na+].[Na+]


Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1Cl.[Na+].[Na+]


InChI

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


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