disodium [(2R)-3-phenoxy-2-(tridecanoylamino)propyl] phosphate

Systemtic Name: disodium [(2R)-3-phenoxy-2-(tridecanoylamino)propyl] phosphate Openeye Name: disodium [(2R)-3-phenoxy-2-(tridecanoylamino)propyl] phosphate CAS Name: disodium [(2R)-2-(1-oxotridecylamino)-3-phenoxypropyl] phosphate IUPAC Name: disodium [(2R)-3-phenoxy-2-(tridecanoylamino)propyl] phosphate Traditional Name: disodium [(2R)-3-phenoxy-2-(tridecanoylamino)propyl] phosphate Formula: C22H36NNa2O6P MolecularWeight: 487.477641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC(COC1=CC=CC=C1)COP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCC(=O)N[C@H](COC1=CC=CC=C1)COP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H38NO6P.2Na/c1-2-3-4-5-6-7-8-9-10-14-17-22(24)23-20(19-29-30(25,26)27)18-28-21-15-12-11-13-16-21;;/h11-13,15-16,20H,2-10,14,17-19H2,1H3,(H,23,24)(H2,25,26,27);;/q;2*+1/p-2/t20-;;/m1../s1