(1-oxidanyl-3-phosphonooxy-propan-2-yl) 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate

Systemtic Name: (1-oxidanyl-3-phosphonooxy-propan-2-yl) 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate Openeye Name: [1-(hydroxymethyl)-2-phosphonooxy-ethyl] 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate CAS Name: 8-[3-[(Z)-oct-2-enyl]-2-oxiranyl]octanoic acid (1-hydroxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-phosphonooxypropan-2-yl) 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoate Traditional Name: 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]caprylic acid (1-methylol-2-phosphonooxy-ethyl) ester Formula: C21H39O8P MolecularWeight: 450.503321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC1C(O1)CCCCCCCC(=O)OC(CO)COP(=O)(O)O

Isomeric SMILES

CCCCC/C=C\CC1C(O1)CCCCCCCC(=O)OC(CO)COP(=O)(O)O

InChI

InChI=1S/C21H39O8P/c1-2-3-4-5-7-10-13-19-20(29-19)14-11-8-6-9-12-15-21(23)28-18(16-22)17-27-30(24,25)26/h7,10,18-20,22H,2-6,8-9,11-17H2,1H3,(H2,24,25,26)/b10-7-