dodecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate

Systemtic Name: dodecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium; 2,3,4-tris(oxidanyl)-4-oxidanylidene-butanoate Openeye Name: dodecyl-(2-hydroxy-3-phenoxy-propyl)-dimethyl-ammonium; 2,3,4-trihydroxy-4-oxo-butanoate CAS Name: dodecyl-(2-hydroxy-3-phenoxypropyl)-dimethylammonium; 2,3,4-trihydroxy-4-oxobutanoate IUPAC Name: dodecyl-(2-hydroxy-3-phenoxypropyl)-dimethylazanium; 2,3,4-trihydroxy-4-oxobutanoate Traditional Name: (2-hydroxy-3-phenoxy-propyl)-lauryl-dimethyl-ammonium; 2,3,4-trihydroxy-4-keto-butyrate Formula: C27H47NO8 MolecularWeight: 513.66398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42NO2.C4H6O6/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;5-1(3(7)8)2(6)4(9)10/h13-15,17-18,22,25H,4-12,16,19-21H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1