2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanedioic acid CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanedioic acid IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]malonic acid Formula: C12H12O6 MolecularWeight: 252.22008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H12O6/c13-11(14)8(12(15)16)5-7-6-17-9-3-1-2-4-10(9)18-7/h1-4,7-8H,5-6H2,(H,13,14)(H,15,16)/t7-/m1/s1