(E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diol

Systemtic Name: (E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diol Openeye Name: (E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diol CAS Name: (E,2S,3R)-2-(octylamino)-4-octadecene-1,3-diol IUPAC Name: (E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diol Traditional Name: (E,2S,3R)-2-(octylamino)octadec-4-ene-1,3-diol Formula: C26H53NO2 MolecularWeight: 411.70452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NCCCCCCCC)O

InChI

InChI=1S/C26H53NO2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-26(29)25(24-28)27-23-21-19-10-8-6-4-2/h20,22,25-29H,3-19,21,23-24H2,1-2H3/b22-20+/t25-,26+/m0/s1