sodium [(2S)-2,4-bis(oxidanyl)butyl] (5-ethoxy-2-octadecanoyloxy-3-octadecoxy-5-oxidanylidene-pentyl) phosphate

Systemtic Name: sodium [(2S)-2,4-bis(oxidanyl)butyl] (5-ethoxy-2-octadecanoyloxy-3-octadecoxy-5-oxidanylidene-pentyl) phosphate Openeye Name: sodium [(2S)-2,4-dihydroxybutyl] (5-ethoxy-2-octadecanoyloxy-3-octadecoxy-5-oxo-pentyl) phosphate CAS Name: sodium [(2S)-2,4-dihydroxybutyl] [5-ethoxy-3-octadecoxy-5-oxo-2-(1-oxooctadecoxy)pentyl] phosphate IUPAC Name: sodium [(2S)-2,4-dihydroxybutyl] (5-ethoxy-2-octadecanoyloxy-3-octadecoxy-5-oxopentyl) phosphate Traditional Name: sodium [(2S)-2,4-dihydroxybutyl] (5-ethoxy-5-keto-2-stearoyloxy-3-stearyloxy-pentyl) phosphate Formula: C47H92NaO11P MolecularWeight: 887.190311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(CC(=O)OCC)C(COP(=O)([O-])OCC(CCO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(CC(=O)OCC)C(COP(=O)([O-])OC[C@H](CCO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

InChI

InChI=1S/C47H93O11P.Na/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-55-44(40-47(51)54-6-3)45(42-57-59(52,53)56-41-43(49)37-38-48)58-46(50)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;/h43-45,48-49H,4-42H2,1-3H3,(H,52,53);/q;+1/p-1/t43-,44?,45?;/m0./s1