[3-(hydroxymethyl)-4-oxidanyl-2-oxidanylidene-5-[(E)-10-oxidanylidenehexadec-2-enyl]oxolan-3-yl]azanium chloride

Systemtic Name: [3-(hydroxymethyl)-4-oxidanyl-2-oxidanylidene-5-[(E)-10-oxidanylidenehexadec-2-enyl]oxolan-3-yl]azanium chloride Openeye Name: [4-hydroxy-3-(hydroxymethyl)-2-oxo-5-[(E)-10-oxohexadec-2-enyl]tetrahydrofuran-3-yl]ammonium chloride CAS Name: [4-hydroxy-3-(hydroxymethyl)-2-oxo-5-[(E)-10-oxohexadec-2-enyl]-3-oxolanyl]ammonium chloride IUPAC Name: [4-hydroxy-3-(hydroxymethyl)-2-oxo-5-[(E)-10-oxohexadec-2-enyl]oxolan-3-yl]azanium chloride Traditional Name: [4-hydroxy-2-keto-5-[(E)-10-ketohexadec-2-enyl]-3-methylol-tetrahydrofuran-3-yl]ammonium chloride Formula: C21H38ClNO5 MolecularWeight: 419.98312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCC=CCC1C(C(C(=O)O1)(CO)[NH3+])O.[Cl-]

Isomeric SMILES

CCCCCCC(=O)CCCCCC/C=C/CC1C(C(C(=O)O1)(CO)[NH3+])O.[Cl-]

InChI

InChI=1S/C21H37NO5.ClH/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18-19(25)21(22,16-23)20(26)27-18;/h9,12,18-19,23,25H,2-8,10-11,13-16,22H2,1H3;1H/b12-9+;