(2-oxidanyl-3-phosphonooxy-propyl) 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate

Systemtic Name: (2-oxidanyl-3-phosphonooxy-propyl) 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate Openeye Name: (2-hydroxy-3-phosphonooxy-propyl) 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate CAS Name: 8-[3-[(3-pentyl-2-oxiranyl)methyl]-2-oxiranyl]octanoic acid (2-hydroxy-3-phosphonooxypropyl) ester IUPAC Name: (2-hydroxy-3-phosphonooxypropyl) 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate Traditional Name: 8-[3-[(3-amyloxiran-2-yl)methyl]oxiran-2-yl]caprylic acid (2-hydroxy-3-phosphonooxy-propyl) ester Formula: C21H39O9P MolecularWeight: 466.502721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)OCC(COP(=O)(O)O)O

Isomeric SMILES

CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C21H39O9P/c1-2-3-7-10-17-19(29-17)13-20-18(30-20)11-8-5-4-6-9-12-21(23)27-14-16(22)15-28-31(24,25)26/h16-20,22H,2-15H2,1H3,(H2,24,25,26)