disodium [1-(octanoylamino)-1-(3-propan-2-yloxyphenyl)propan-2-yl] phosphate

Systemtic Name: disodium [1-(octanoylamino)-1-(3-propan-2-yloxyphenyl)propan-2-yl] phosphate Openeye Name: disodium [2-(3-isopropoxyphenyl)-1-methyl-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [1-(1-oxooctylamino)-1-(3-propan-2-yloxyphenyl)propan-2-yl] phosphate IUPAC Name: disodium [1-(octanoylamino)-1-(3-propan-2-yloxyphenyl)propan-2-yl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(3-isopropoxyphenyl)-1-methyl-ethyl] phosphate Formula: C20H32NNa2O6P MolecularWeight: 459.424481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34NO6P.2Na/c1-5-6-7-8-9-13-19(22)21-20(16(4)27-28(23,24)25)17-11-10-12-18(14-17)26-15(2)3;;/h10-12,14-16,20H,5-9,13H2,1-4H3,(H,21,22)(H2,23,24,25);;/q;2*+1/p-2