(1-hexadecoxy-3-phosphonooxy-propan-2-yl) ethanoate

Systemtic Name: (1-hexadecoxy-3-phosphonooxy-propan-2-yl) ethanoate Openeye Name: [1-(hexadecoxymethyl)-2-phosphonooxy-ethyl] acetate CAS Name: acetic acid (1-hexadecoxy-3-phosphonooxypropan-2-yl) ester IUPAC Name: (1-hexadecoxy-3-phosphonooxypropan-2-yl) acetate Traditional Name: acetic acid [1-(cetyloxymethyl)-2-phosphonooxy-ethyl] ester Formula: C21H43O7P MolecularWeight: 438.535681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OC(=O)C

InChI

InChI=1S/C21H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-18-21(28-20(2)22)19-27-29(23,24)25/h21H,3-19H2,1-2H3,(H2,23,24,25)