[(E,2S,3R)-2-(octanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate

Systemtic Name: [(E,2S,3R)-2-(octanoylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-3-hydroxy-2-(1-oxooctylamino)octadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-3-hydroxy-2-(octanoylamino)octadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-2-(caprylylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate Formula: C26H52NO6P MolecularWeight: 505.667941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NC(=O)CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCC)O

InChI

InChI=1S/C26H52NO6P/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(23-33-34(30,31)32)27-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23H2,1-2H3,(H,27,29)(H2,30,31,32)/b21-19+/t24-,25+/m0/s1