(3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-oxolane-3-carboxylic acid

Systemtic Name: (3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-oxolane-3-carboxylic acid Openeye Name: (3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-tetrahydrofuran-3-carboxylic acid CAS Name: (3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-3-oxolanecarboxylic acid IUPAC Name: (3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-methoxycarbonyloxolane-3-carboxylic acid Traditional Name: (3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-4-carbomethoxy-tetrahydrofuran-3-carboxylic acid Formula: C14H14O7 MolecularWeight: 294.25676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(COC1C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H14O7/c1-18-14(17)11-8(13(15)16)5-19-12(11)7-2-3-9-10(4-7)21-6-20-9/h2-4,8,11-12H,5-6H2,1H3,(H,15,16)/t8-,11+,12+/m0/s1