disodium [1-[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]-1-(octanoylamino)propan-2-yl] phosphate

Systemtic Name: disodium [1-[3-(2-methoxy-2-oxidanylidene-ethyl)phenyl]-1-(octanoylamino)propan-2-yl] phosphate Openeye Name: disodium [2-[3-(2-methoxy-2-oxo-ethyl)phenyl]-1-methyl-2-(octanoylamino)ethyl] phosphate CAS Name: disodium [1-[3-(2-methoxy-2-oxoethyl)phenyl]-1-(1-oxooctylamino)propan-2-yl] phosphate IUPAC Name: disodium [1-[3-(2-methoxy-2-oxoethyl)phenyl]-1-(octanoylamino)propan-2-yl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-[3-(2-keto-2-methoxy-ethyl)phenyl]-1-methyl-ethyl] phosphate Formula: C20H30NNa2O7P MolecularWeight: 473.408001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32NO7P.2Na/c1-4-5-6-7-8-12-18(22)21-20(15(2)28-29(24,25)26)17-11-9-10-16(13-17)14-19(23)27-3;;/h9-11,13,15,20H,4-8,12,14H2,1-3H3,(H,21,22)(H2,24,25,26);;/q;2*+1/p-2