(E)-2-diazonio-3-ethoxy-1-[[(2R)-4-hexadecanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]methoxy]-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-3-ethoxy-1-[[(2R)-4-hexadecanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]methoxy]-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-2-diazonio-3-ethoxy-1-[[(2R)-4-hexadecanoyl-5-hydroxy-3-oxo-2-furyl]methoxy]-3-oxo-prop-1-en-1-olate CAS Name: (E)-2-diazonio-3-ethoxy-1-[[(2R)-5-hydroxy-3-oxo-4-(1-oxohexadecyl)-2-furanyl]methoxy]-3-oxo-1-propen-1-olate IUPAC Name: (E)-2-diazonio-3-ethoxy-1-[[(2R)-4-hexadecanoyl-5-hydroxy-3-oxofuran-2-yl]methoxy]-3-oxoprop-1-en-1-olate Traditional Name: (E)-2-diazonio-3-ethoxy-1-[[(2R)-4-hexadecanoyl-5-hydroxy-3-keto-2-furyl]methoxy]-3-keto-prop-1-en-1-olate Formula: C26H40N2O8 MolecularWeight: 508.6044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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