[(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)-(2-tridec-1-ynylphenyl)methyl] ethanoate

Systemtic Name: [(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)-(2-tridec-1-ynylphenyl)methyl] ethanoate Openeye Name: [(2-hydroxy-5-oxo-2H-furan-3-yl)-(2-tridec-1-ynylphenyl)methyl] acetate CAS Name: acetic acid [(2-hydroxy-5-oxo-2H-furan-3-yl)-(2-tridec-1-ynylphenyl)methyl] ester IUPAC Name: [(2-hydroxy-5-oxo-2H-furan-3-yl)-(2-tridec-1-ynylphenyl)methyl] acetate Traditional Name: acetic acid [(2-hydroxy-5-keto-2H-furan-3-yl)-(2-tridec-1-ynylphenyl)methyl] ester Formula: C26H34O5 MolecularWeight: 426.54516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC=CC=C1C(C2=CC(=O)OC2O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC=CC=C1C(C2=CC(=O)OC2O)OC(=O)C

InChI

InChI=1S/C26H34O5/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-17-14-15-18-22(21)25(30-20(2)27)23-19-24(28)31-26(23)29/h14-15,17-19,25-26,29H,3-12H2,1-2H3