disodium [(1R,2R)-1-(octanoylamino)-3-oxidanyl-1-phenyl-propan-2-yl] phosphate

Systemtic Name: disodium [(1R,2R)-1-(octanoylamino)-3-oxidanyl-1-phenyl-propan-2-yl] phosphate Openeye Name: disodium [(1R,2R)-1-(hydroxymethyl)-2-(octanoylamino)-2-phenyl-ethyl] phosphate CAS Name: disodium [(1R,2R)-3-hydroxy-1-(1-oxooctylamino)-1-phenylpropan-2-yl] phosphate IUPAC Name: disodium [(1R,2R)-3-hydroxy-1-(octanoylamino)-1-phenylpropan-2-yl] phosphate Traditional Name: disodium [(1R,2R)-2-(caprylylamino)-1-methylol-2-phenyl-ethyl] phosphate Formula: C17H26NNa2O6P MolecularWeight: 417.344741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(=O)N[C@H](C1=CC=CC=C1)[C@H](CO)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C17H28NO6P.2Na/c1-2-3-4-5-9-12-16(20)18-17(14-10-7-6-8-11-14)15(13-19)24-25(21,22)23;;/h6-8,10-11,15,17,19H,2-5,9,12-13H2,1H3,(H,18,20)(H2,21,22,23);;/q;2*+1/p-2/t15-,17+;;/m0../s1