disodium [2-(2-methylphenyl)-2-(octanoylamino)ethyl] phosphate

Systemtic Name: disodium [2-(2-methylphenyl)-2-(octanoylamino)ethyl] phosphate Openeye Name: disodium [2-(octanoylamino)-2-(o-tolyl)ethyl] phosphate CAS Name: disodium [2-(2-methylphenyl)-2-(1-oxooctylamino)ethyl] phosphate IUPAC Name: disodium [2-(2-methylphenyl)-2-(octanoylamino)ethyl] phosphate Traditional Name: disodium [2-(caprylylamino)-2-(o-tolyl)ethyl] phosphate Formula: C17H26NNa2O5P MolecularWeight: 401.345341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1C.[Na+].[Na+]

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)([O-])[O-])C1=CC=CC=C1C.[Na+].[Na+]

InChI

InChI=1S/C17H28NO5P.2Na/c1-3-4-5-6-7-12-17(19)18-16(13-23-24(20,21)22)15-11-9-8-10-14(15)2;;/h8-11,16H,3-7,12-13H2,1-2H3,(H,18,19)(H2,20,21,22);;/q;2*+1/p-2