(E)-2-diazonio-1-ethoxy-2-[2-[(2R)-4-hexadecanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]ethanoyloxy]ethenolate

Systemtic Name: (E)-2-diazonio-1-ethoxy-2-[2-[(2R)-4-hexadecanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]ethanoyloxy]ethenolate Openeye Name: (E)-2-diazonio-1-ethoxy-2-[2-[(2R)-4-hexadecanoyl-5-hydroxy-3-oxo-2-furyl]acetyl]oxy-ethenolate CAS Name: (E)-2-diazonio-1-ethoxy-2-[2-[(2R)-5-hydroxy-3-oxo-4-(1-oxohexadecyl)-2-furanyl]-1-oxoethoxy]ethenolate IUPAC Name: (E)-2-diazonio-1-ethoxy-2-[2-[(2R)-4-hexadecanoyl-5-hydroxy-3-oxofuran-2-yl]acetyl]oxyethenolate Traditional Name: (E)-2-diazonio-1-ethoxy-2-[2-[(2R)-4-hexadecanoyl-5-hydroxy-3-keto-2-furyl]acetyl]oxy-ethenolate Formula: C26H40N2O8 MolecularWeight: 508.6044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C(OC(C1=O)CC(=O)OC(=C([O-])OCC)[N+]#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C(O[C@@H](C1=O)CC(=O)O/C(=C(\[O-])/OCC)/[N+]#N)O

InChI

InChI=1S/C26H40N2O8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(29)22-23(31)20(35-25(22)32)18-21(30)36-24(28-27)26(33)34-4-2/h20H,3-18H2,1-2H3,(H-,29,31,32,33)/b26-24+/t20-/m1/s1