(2-oxidanyl-3-phosphonooxy-propyl) 4-methylnonanoate

Systemtic Name: (2-oxidanyl-3-phosphonooxy-propyl) 4-methylnonanoate Openeye Name: (2-hydroxy-3-phosphonooxy-propyl) 4-methylnonanoate CAS Name: 4-methylnonanoic acid (2-hydroxy-3-phosphonooxypropyl) ester IUPAC Name: (2-hydroxy-3-phosphonooxypropyl) 4-methylnonanoate Traditional Name: 4-methylpelargonic acid (2-hydroxy-3-phosphonooxy-propyl) ester Formula: C13H27O7P MolecularWeight: 326.323041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CCC(=O)OCC(COP(=O)(O)O)O

Isomeric SMILES

CCCCCC(C)CCC(=O)OCC(COP(=O)(O)O)O

InChI

InChI=1S/C13H27O7P/c1-3-4-5-6-11(2)7-8-13(15)19-9-12(14)10-20-21(16,17)18/h11-12,14H,3-10H2,1-2H3,(H2,16,17,18)