[(2S,6R)-6-(hydroxymethyl)-5-oxidanylidene-4-(phenylcarbonyloxy)-2H-pyran-2-yl]methyl benzoate

Systemtic Name: [(2S,6R)-6-(hydroxymethyl)-5-oxidanylidene-4-(phenylcarbonyloxy)-2H-pyran-2-yl]methyl benzoate Openeye Name: [(2S,6R)-4-benzoyloxy-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,6R)-4-benzoyloxy-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]methyl ester IUPAC Name: [(2S,6R)-4-benzoyloxy-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,6R)-4-benzoyloxy-5-keto-6-methylol-2H-pyran-2-yl]methyl ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C=C(C(=O)C(O2)CO)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2C=C(C(=O)[C@H](O2)CO)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O7/c22-12-18-19(23)17(28-21(25)15-9-5-2-6-10-15)11-16(27-18)13-26-20(24)14-7-3-1-4-8-14/h1-11,16,18,22H,12-13H2/t16-,18+/m0/s1