2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl dihydrogen phosphate

Systemtic Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl dihydrogen phosphate Openeye Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl dihydrogen phosphate CAS Name: 2-[[(5E,8E,11E,14E,17E)-1-oxoeicosa-5,8,11,14,17-pentaenyl]amino]ethanesulfenic acid phosphono ester IUPAC Name: 2-[[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl dihydrogen phosphate Traditional Name: [2-[[(5E,8E,11E,14E,17E)-eicosa-5,8,11,14,17-pentaenoyl]amino]ethylthio] dihydrogen phosphate Formula: C22H36NO5PS MolecularWeight: 457.563701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCSOP(=O)(O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCSOP(=O)(O)O

InChI

InChI=1S/C22H36NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-30-28-29(25,26)27/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)(H2,25,26,27)/b4-3+,7-6+,10-9+,13-12+,16-15+