[2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-ylidene-oxolan-2-yl]methyl 4-[2-(4-ethynylphenyl)ethynyl]benzoate

Systemtic Name: [2-(hydroxymethyl)-5-oxidanylidene-4-propan-2-ylidene-oxolan-2-yl]methyl 4-[2-(4-ethynylphenyl)ethynyl]benzoate Openeye Name: [2-(hydroxymethyl)-4-isopropylidene-5-oxo-tetrahydrofuran-2-yl]methyl 4-[2-(4-ethynylphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-ethynylphenyl)ethynyl]benzoic acid [2-(hydroxymethyl)-5-oxo-4-propan-2-ylidene-2-oxolanyl]methyl ester IUPAC Name: [2-(hydroxymethyl)-5-oxo-4-propan-2-ylideneoxolan-2-yl]methyl 4-[2-(4-ethynylphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-ethynylphenyl)ethynyl]benzoic acid (4-isopropylidene-5-keto-2-methylol-tetrahydrofuran-2-yl)methyl ester Formula: C26H22O5 MolecularWeight: 414.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CC(OC1=O)(CO)COC(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C#C)C

Isomeric SMILES

CC(=C1CC(OC1=O)(CO)COC(=O)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C#C)C

InChI

InChI=1S/C26H22O5/c1-4-19-5-7-20(8-6-19)9-10-21-11-13-22(14-12-21)24(28)30-17-26(16-27)15-23(18(2)3)25(29)31-26/h1,5-8,11-14,27H,15-17H2,2-3H3