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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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