3-(1,3-benzodioxol-5-ylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid CAS Name: 3-[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-piperonyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)C(=O)O)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC2C(C(C1O2)C(=O)O)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H16O7/c17-15(18)13-10-3-4-11(23-10)14(13)16(19)20-6-8-1-2-9-12(5-8)22-7-21-9/h1-2,5,10-11,13-14H,3-4,6-7H2,(H,17,18)