[(E,2S)-1-oxidanyl-3-oxidanylidene-octadec-4-en-2-yl]azanium chloride

Systemtic Name: [(E,2S)-1-oxidanyl-3-oxidanylidene-octadec-4-en-2-yl]azanium chloride Openeye Name: [(E,1S)-1-(hydroxymethyl)-2-oxo-heptadec-3-enyl]ammonium chloride CAS Name: [(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]ammonium chloride IUPAC Name: [(E,2S)-1-hydroxy-3-oxooctadec-4-en-2-yl]azanium chloride Traditional Name: [(E,1S)-2-keto-1-methylol-heptadec-3-enyl]ammonium chloride Formula: C18H36ClNO2 MolecularWeight: 333.93694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(=O)C(CO)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(=O)[C@H](CO)[NH3+].[Cl-]

InChI

InChI=1S/C18H35NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h14-15,17,20H,2-13,16,19H2,1H3;1H/b15-14+;/t17-;/m0./s1