2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]propanedioic acid

Systemtic Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]propanedioic acid Openeye Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]propanedioic acid CAS Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]propanedioic acid IUPAC Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]propanedioic acid Traditional Name: 2-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]malonic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)CC(C(=O)O)C(=O)O)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)CC(C(=O)O)C(=O)O)C

InChI

InChI=1S/C13H14O6/c1-13(2)18-9-4-3-7(6-10(9)19-13)5-8(11(14)15)12(16)17/h3-4,6,8H,5H2,1-2H3,(H,14,15)(H,16,17)