(4S,5S)-5-(1,3-benzodioxol-5-yl)-4-ethanoyl-oxolan-2-one

Systemtic Name: (4S,5S)-5-(1,3-benzodioxol-5-yl)-4-ethanoyl-oxolan-2-one Openeye Name: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)tetrahydrofuran-2-one CAS Name: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)-2-oxolanone IUPAC Name: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)oxolan-2-one Traditional Name: (4S,5S)-4-acetyl-5-(1,3-benzodioxol-5-yl)tetrahydrofuran-2-one Formula: C13H12O5 MolecularWeight: 248.23138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC(=O)OC1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12O5/c1-7(14)9-5-12(15)18-13(9)8-2-3-10-11(4-8)17-6-16-10/h2-4,9,13H,5-6H2,1H3/t9-,13-/m1/s1