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

Systemtic Name: disodium [2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-(3-pentoxyphenyl)ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-(3-pentoxyphenyl)ethyl] phosphate Traditional Name: disodium [2-(3-amoxyphenyl)-2-(caprylylamino)ethyl] phosphate Formula: C21H34NNa2O6P MolecularWeight: 473.451061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36NO6P.2Na/c1-3-5-7-8-9-14-21(23)22-20(17-28-29(24,25)26)18-12-11-13-19(16-18)27-15-10-6-4-2;;/h11-13,16,20H,3-10,14-15,17H2,1-2H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2