[7-(5,5-diethyl-7-phosphonooxy-heptoxy)-3,3-diethyl-heptyl] dihydrogen phosphate

Systemtic Name: [7-(5,5-diethyl-7-phosphonooxy-heptoxy)-3,3-diethyl-heptyl] dihydrogen phosphate Openeye Name: [7-(5,5-diethyl-7-phosphonooxy-heptoxy)-3,3-diethyl-heptyl] dihydrogen phosphate CAS Name: [7-(5,5-diethyl-7-phosphonooxyheptoxy)-3,3-diethylheptyl] dihydrogen phosphate IUPAC Name: [7-(5,5-diethyl-7-phosphonooxyheptoxy)-3,3-diethylheptyl] dihydrogen phosphate Traditional Name: [7-(5,5-diethyl-7-phosphonooxy-heptoxy)-3,3-diethyl-heptyl] dihydrogen phosphate Formula: C22H48O9P2 MolecularWeight: 518.558642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)CCOP(=O)(O)O)CCOP(=O)(O)O

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)CCOP(=O)(O)O)CCOP(=O)(O)O

InChI

InChI=1S/C22H48O9P2/c1-5-21(6-2,15-19-30-32(23,24)25)13-9-11-17-29-18-12-10-14-22(7-3,8-4)16-20-31-33(26,27)28/h5-20H2,1-4H3,(H2,23,24,25)(H2,26,27,28)