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

Systemtic Name: dimethyl-(2-oxidanyl-3-phenoxy-propyl)-tridecyl-azanium; dipropan-2-yl phosphate Openeye Name: diisopropyl phosphate; (2-hydroxy-3-phenoxy-propyl)-dimethyl-tridecyl-ammonium CAS Name: dipropan-2-yl phosphate; (2-hydroxy-3-phenoxypropyl)-dimethyl-tridecylammonium IUPAC Name: dipropan-2-yl phosphate; (2-hydroxy-3-phenoxypropyl)-dimethyl-tridecylazanium Traditional Name: diisopropyl phosphate; (2-hydroxy-3-phenoxy-propyl)-dimethyl-tridecyl-ammonium Formula: C30H58NO6P MolecularWeight: 559.758381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.CC(C)OP(=O)([O-])OC(C)C

Isomeric SMILES

CCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.CC(C)OP(=O)([O-])OC(C)C

InChI

InChI=1S/C24H44NO2.C6H15O4P/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;1-5(2)9-11(7,8)10-6(3)4/h14-16,18-19,23,26H,4-13,17,20-22H2,1-3H3;5-6H,1-4H3,(H,7,8)/q+1;/p-1