dodecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium; 6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: dodecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium; 6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: dodecyl-(2-hydroxy-3-phenoxy-propyl)-dimethyl-ammonium; 6-hydroxy-6-oxo-hexanoate CAS Name: dodecyl-(2-hydroxy-3-phenoxypropyl)-dimethylammonium; 6-hydroxy-6-oxohexanoate IUPAC Name: dodecyl-(2-hydroxy-3-phenoxypropyl)-dimethylazanium; 6-hydroxy-6-oxohexanoate Traditional Name: 6-hydroxy-6-keto-hexanoate; (2-hydroxy-3-phenoxy-propyl)-lauryl-dimethyl-ammonium Formula: C29H51NO6 MolecularWeight: 509.71834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.C(CCC(=O)[O-])CC(=O)O

InChI

InChI=1S/C23H42NO2.C6H10O4/c1-4-5-6-7-8-9-10-11-12-16-19-24(2,3)20-22(25)21-26-23-17-14-13-15-18-23;7-5(8)3-1-2-4-6(9)10/h13-15,17-18,22,25H,4-12,16,19-21H2,1-3H3;1-4H2,(H,7,8)(H,9,10)/q+1;/p-1