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

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

Systemtic Name:disodium [2-(3-ethoxyphenyl)-2-(octanoylamino)ethyl] phosphate
Openeye Name:disodium [2-(3-ethoxyphenyl)-2-(octanoylamino)ethyl] phosphate
CAS Name:disodium [2-(3-ethoxyphenyl)-2-(1-oxooctylamino)ethyl] phosphate
IUPAC Name:disodium [2-(3-ethoxyphenyl)-2-(octanoylamino)ethyl] phosphate
Traditional Name:disodium [2-(caprylylamino)-2-m-phenetyl-ethyl] phosphate
Formula: C18H28NNa2O6P
MolecularWeight: 431.371321
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H30NO6P.2Na/c1-3-5-6-7-8-12-18(20)19-17(14-25-26(21,22)23)15-10-9-11-16(13-15)24-4-2;;/h9-11,13,17H,3-8,12,14H2,1-2H3,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2


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