disodium [2-(octanoylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] phosphate

Systemtic Name: disodium [2-(octanoylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] phosphate Openeye Name: disodium [2-[3-(1-ethylpropoxy)phenyl]-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [2-(1-oxooctylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] phosphate IUPAC Name: disodium [2-(octanoylamino)-2-(3-pentan-3-yloxyphenyl)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(1-ethylpropoxy)phenyl]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)OC(CC)CC.[Na+].[Na+]

Isomeric SMILES

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

InChI

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