trisodium [(2S)-2-oxidanyl-2-[(2R)-5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl]ethyl] hexadecanoate

Systemtic Name: trisodium [(2S)-2-oxidanyl-2-[(2R)-5-oxidanyl-3-oxidanylidene-4-phosphonooxy-furan-2-yl]ethyl] hexadecanoate Openeye Name: trisodium [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-phosphonooxy-2-furyl]ethyl] hexadecanoate CAS Name: trisodium hexadecanoic acid [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-phosphonooxy-2-furanyl]ethyl] ester IUPAC Name: trisodium [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-oxo-4-phosphonooxyfuran-2-yl]ethyl] hexadecanoate Traditional Name: trisodium palmitic acid [(2S)-2-hydroxy-2-[(2R)-5-hydroxy-3-keto-4-phosphonooxy-2-furyl]ethyl] ester Formula: C22H39Na3O10P+3 MolecularWeight: 563.482131

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)OP(=O)(O)O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=O)C(=C(O1)O)OP(=O)(O)O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H39O10P.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)30-16-17(23)20-19(25)21(22(26)31-20)32-33(27,28)29;;;/h17,20,23,26H,2-16H2,1H3,(H2,27,28,29);;;/q;3*+1/t17-,20+;;;/m0.../s1