(9E,12E)-N-[(2S)-1-(hexylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]octadeca-9,12-dienamide

Systemtic Name: (9E,12E)-N-[(2S)-1-(hexylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]octadeca-9,12-dienamide Openeye Name: (9E,12E)-N-[(1S)-2-(hexylamino)-1-(hydroxymethyl)-2-oxo-ethyl]octadeca-9,12-dienamide CAS Name: (9E,12E)-N-[(2S)-1-(hexylamino)-3-hydroxy-1-oxopropan-2-yl]octadeca-9,12-dienamide IUPAC Name: (9E,12E)-N-[(2S)-1-(hexylamino)-3-hydroxy-1-oxopropan-2-yl]octadeca-9,12-dienamide Traditional Name: (9E,12E)-N-[(1S)-2-(hexylamino)-2-keto-1-methylol-ethyl]octadeca-9,12-dienamide Formula: C27H50N2O3 MolecularWeight: 450.6975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(CO)NC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCNC(=O)[C@H](CO)NC(=O)CCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C27H50N2O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26(31)29-25(24-30)27(32)28-23-21-8-6-4-2/h10-11,13-14,25,30H,3-9,12,15-24H2,1-2H3,(H,28,32)(H,29,31)/b11-10+,14-13+/t25-/m0/s1