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

Systemtic Name: [3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptyl] dihydrogen phosphate Openeye Name: [3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptyl] dihydrogen phosphate CAS Name: [3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptyl] dihydrogen phosphate IUPAC Name: [3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptyl] dihydrogen phosphate Traditional Name: [3,3-diethyl-7-[5-ethyl-5-(phosphonooxymethyl)heptoxy]heptyl] dihydrogen phosphate Formula: C21H46O9P2 MolecularWeight: 504.532062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46O9P2/c1-5-20(6-2,15-18-29-31(22,23)24)13-9-11-16-28-17-12-10-14-21(7-3,8-4)19-30-32(25,26)27/h5-19H2,1-4H3,(H2,22,23,24)(H2,25,26,27)