sodium [5-(2-hexadecanoyloxy-1-oxidanyl-ethyl)-2-oxidanyl-4-oxidanylidene-furan-3-yl] hydrogen phosphate

Systemtic Name: sodium [5-(2-hexadecanoyloxy-1-oxidanyl-ethyl)-2-oxidanyl-4-oxidanylidene-furan-3-yl] hydrogen phosphate Openeye Name: sodium [5-(2-hexadecanoyloxy-1-hydroxy-ethyl)-2-hydroxy-4-oxo-3-furyl] hydrogen phosphate CAS Name: sodium [2-hydroxy-5-[1-hydroxy-2-(1-oxohexadecoxy)ethyl]-4-oxo-3-furanyl] hydrogen phosphate IUPAC Name: sodium [5-(2-hexadecanoyloxy-1-hydroxyethyl)-2-hydroxy-4-oxofuran-3-yl] hydrogen phosphate Traditional Name: sodium [5-(2-hexadecanoyloxy-1-hydroxy-ethyl)-2-hydroxy-4-keto-3-furyl] hydrogen phosphate Formula: C22H38NaO10P MolecularWeight: 516.494651

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C22H39O10P.Na/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;+1/p-1