diethyl phosphate; dimethyl-(2-oxidanyl-3-phenoxy-propyl)-tridecyl-azanium

Systemtic Name: diethyl phosphate; dimethyl-(2-oxidanyl-3-phenoxy-propyl)-tridecyl-azanium Openeye Name: diethyl phosphate; (2-hydroxy-3-phenoxy-propyl)-dimethyl-tridecyl-ammonium CAS Name: diethyl phosphate; (2-hydroxy-3-phenoxypropyl)-dimethyl-tridecylammonium IUPAC Name: diethyl phosphate; (2-hydroxy-3-phenoxypropyl)-dimethyl-tridecylazanium Traditional Name: diethyl phosphate; (2-hydroxy-3-phenoxy-propyl)-dimethyl-tridecyl-ammonium Formula: C28H54NO6P MolecularWeight: 531.705221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.CCOP(=O)([O-])OCC

Isomeric SMILES

CCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.CCOP(=O)([O-])OCC

InChI

InChI=1S/C24H44NO2.C4H11O4P/c1-4-5-6-7-8-9-10-11-12-13-17-20-25(2,3)21-23(26)22-27-24-18-15-14-16-19-24;1-3-7-9(5,6)8-4-2/h14-16,18-19,23,26H,4-13,17,20-22H2,1-3H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1