(1-hexadecoxy-3-phosphonooxy-propan-2-yl) dihydrogen phosphate

Systemtic Name: (1-hexadecoxy-3-phosphonooxy-propan-2-yl) dihydrogen phosphate Openeye Name: [1-(hexadecoxymethyl)-2-phosphonooxy-ethyl] dihydrogen phosphate CAS Name: (1-hexadecoxy-3-phosphonooxypropan-2-yl) dihydrogen phosphate IUPAC Name: (1-hexadecoxy-3-phosphonooxypropan-2-yl) dihydrogen phosphate Traditional Name: [1-(cetyloxymethyl)-2-phosphonooxy-ethyl] dihydrogen phosphate Formula: C19H42O9P2 MolecularWeight: 476.478902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C19H42O9P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-17-19(28-30(23,24)25)18-27-29(20,21)22/h19H,2-18H2,1H3,(H2,20,21,22)(H2,23,24,25)