(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azanium; (5Z,14Z,16R)-16-oxidanylicosa-5,14-dienoate

Systemtic Name: (5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azanium; (5Z,14Z,16R)-16-oxidanylicosa-5,14-dienoate Openeye Name: (5-amino-6-hydroxy-6-oxo-hexyl)ammonium; (5Z,14Z,16R)-16-hydroxyicosa-5,14-dienoate CAS Name: (5-amino-6-hydroxy-6-oxohexyl)ammonium; (5Z,14Z,16R)-16-hydroxyeicosa-5,14-dienoate IUPAC Name: (5-amino-6-hydroxy-6-oxohexyl)azanium; (5Z,14Z,16R)-16-hydroxyicosa-5,14-dienoate Traditional Name: (5-amino-6-hydroxy-6-keto-hexyl)ammonium; (5Z,14Z,16R)-16-hydroxyeicosa-5,14-dienoate Formula: C26H50N2O5 MolecularWeight: 470.6856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CCCCCCCCC=CCCCC(=O)[O-])O.C(CC[NH3+])CC(C(=O)O)N

Isomeric SMILES

CCCC[C@H](/C=C\CCCCCCC/C=C\CCCC(=O)[O-])O.C(CC[NH3+])CC(C(=O)O)N

InChI

InChI=1S/C20H36O3.C6H14N2O2/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23;7-4-2-1-3-5(8)6(9)10/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23);5H,1-4,7-8H2,(H,9,10)/b11-9-,17-14-;/t19-;/m1./s1