[4,4-diethyl-8-(5-ethyl-5-phosphonooxy-heptoxy)octyl] dihydrogen phosphate

Systemtic Name: [4,4-diethyl-8-(5-ethyl-5-phosphonooxy-heptoxy)octyl] dihydrogen phosphate Openeye Name: [4,4-diethyl-8-(5-ethyl-5-phosphonooxy-heptoxy)octyl] dihydrogen phosphate CAS Name: [4,4-diethyl-8-(5-ethyl-5-phosphonooxyheptoxy)octyl] dihydrogen phosphate IUPAC Name: [4,4-diethyl-8-(5-ethyl-5-phosphonooxyheptoxy)octyl] dihydrogen phosphate Traditional Name: [4,4-diethyl-8-(5-ethyl-5-phosphonooxy-heptoxy)octyl] dihydrogen phosphate Formula: C21H46O9P2 MolecularWeight: 504.532062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)CCCOP(=O)(O)O

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)OP(=O)(O)O)CCCOP(=O)(O)O

InChI

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