phenylcarbonyl (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: phenylcarbonyl (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolane-3-carboxylate Openeye Name: benzoyl (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-tetrahydrofuran-3-carboxylate CAS Name: (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-oxolanecarboxylic acid benzoyl ester IUPAC Name: benzoyl (3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxooxolane-3-carboxylate Traditional Name: (3S,4S)-5-keto-4-piperonyl-tetrahydrofuran-3-carboxylic acid benzoyl ester Formula: C20H16O7 MolecularWeight: 368.33684

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)O1)CC2=CC3=C(C=C2)OCO3)C(=O)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H]([C@@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)C(=O)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H16O7/c21-18(13-4-2-1-3-5-13)27-20(23)15-10-24-19(22)14(15)8-12-6-7-16-17(9-12)26-11-25-16/h1-7,9,14-15H,8,10-11H2/t14-,15+/m0/s1