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

Systemtic Name: [(E,2S,3R)-2-(ethylamino)-3-oxidanyl-octadec-4-enyl] dihydrogen phosphate Openeye Name: [(E,2S,3R)-2-(ethylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate CAS Name: [(E,2S,3R)-2-(ethylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate IUPAC Name: [(E,2S,3R)-2-(ethylamino)-3-hydroxyoctadec-4-enyl] dihydrogen phosphate Traditional Name: [(E,2S,3R)-2-(ethylamino)-3-hydroxy-octadec-4-enyl] dihydrogen phosphate Formula: C20H42NO5P MolecularWeight: 407.524941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)NCC)O

Isomeric SMILES

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

InChI

InChI=1S/C20H42NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)19(21-4-2)18-26-27(23,24)25/h16-17,19-22H,3-15,18H2,1-2H3,(H2,23,24,25)/b17-16+/t19-,20+/m0/s1