[6-(5,5-diethyl-7-oxidanyl-heptoxy)-2,2-diethyl-hexyl] dihydrogen phosphate

Systemtic Name: [6-(5,5-diethyl-7-oxidanyl-heptoxy)-2,2-diethyl-hexyl] dihydrogen phosphate Openeye Name: [6-(5,5-diethyl-7-hydroxy-heptoxy)-2,2-diethyl-hexyl] dihydrogen phosphate CAS Name: [6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexyl] dihydrogen phosphate IUPAC Name: [6-(5,5-diethyl-7-hydroxyheptoxy)-2,2-diethylhexyl] dihydrogen phosphate Traditional Name: [6-(5,5-diethyl-7-hydroxy-heptoxy)-2,2-diethyl-hexyl] dihydrogen phosphate Formula: C21H45O6P MolecularWeight: 424.552161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45O6P/c1-5-20(6-2,15-16-22)13-9-11-17-26-18-12-10-14-21(7-3,8-4)19-27-28(23,24)25/h22H,5-19H2,1-4H3,(H2,23,24,25)