3-[(1R,2R,3R,4S)-2-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[(1R,2R,3R,4S)-2-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]-3H-2-benzofuran-1-one Openeye Name: 3-[(1R,2R,3R,4S)-2-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]-3H-isobenzofuran-1-one CAS Name: 3-[(1R,2R,3R,4S)-2-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]-3H-isobenzofuran-1-one IUPAC Name: 3-[(1R,2R,3R,4S)-2-(hydroxymethyl)-7-oxabicyclo[2.2.1]heptan-3-yl]-3H-2-benzofuran-1-one Traditional Name: 3-[(1R,2R,3R,4S)-2-methylol-7-oxabicyclo[2.2.1]heptan-3-yl]phthalide Formula: C15H16O4 MolecularWeight: 260.28514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)CO)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)CO)C3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C15H16O4/c16-7-10-11-5-6-12(18-11)13(10)14-8-3-1-2-4-9(8)15(17)19-14/h1-4,10-14,16H,5-7H2/t10-,11-,12+,13-,14?/m1/s1