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

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate CAS Name: 8-[3-[(3-pentyl-2-oxiranyl)methyl]-2-oxiranyl]octanoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) 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 (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H39O9P MolecularWeight: 466.502721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)OC(CO)COP(=O)(O)O

Isomeric SMILES

CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)OC(CO)COP(=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)28-16(14-22)15-27-31(24,25)26/h16-20,22H,2-15H2,1H3,(H2,24,25,26)