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

Systemtic Name: disodium [2-(octanoylamino)-2-(3-propoxyphenyl)ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-(3-propoxyphenyl)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-(3-propoxyphenyl)ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-(3-propoxyphenyl)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-propoxyphenyl)ethyl] phosphate Formula: C19H30NNa2O6P MolecularWeight: 445.397901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32NO6P.2Na/c1-3-5-6-7-8-12-19(21)20-18(15-26-27(22,23)24)16-10-9-11-17(14-16)25-13-4-2;;/h9-11,14,18H,3-8,12-13,15H2,1-2H3,(H,20,21)(H2,22,23,24);;/q;2*+1/p-2