(2-oxidanyl-3-phosphonooxy-propyl) 2,2-dimethyloctanoate

Systemtic Name: (2-oxidanyl-3-phosphonooxy-propyl) 2,2-dimethyloctanoate Openeye Name: (2-hydroxy-3-phosphonooxy-propyl) 2,2-dimethyloctanoate CAS Name: 2,2-dimethyloctanoic acid (2-hydroxy-3-phosphonooxypropyl) ester IUPAC Name: (2-hydroxy-3-phosphonooxypropyl) 2,2-dimethyloctanoate Traditional Name: 2,2-dimethylcaprylic acid (2-hydroxy-3-phosphonooxy-propyl) ester Formula: C13H27O7P MolecularWeight: 326.323041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C(=O)OCC(COP(=O)(O)O)O

Isomeric SMILES

CCCCCCC(C)(C)C(=O)OCC(COP(=O)(O)O)O

InChI

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