2-methyl-2-(6-propyl-1,3-benzodioxol-5-yl)propanedioic acid

Systemtic Name: 2-methyl-2-(6-propyl-1,3-benzodioxol-5-yl)propanedioic acid Openeye Name: 2-methyl-2-(6-propyl-1,3-benzodioxol-5-yl)propanedioic acid CAS Name: 2-methyl-2-(6-propyl-1,3-benzodioxol-5-yl)propanedioic acid IUPAC Name: 2-methyl-2-(6-propyl-1,3-benzodioxol-5-yl)propanedioic acid Traditional Name: 2-methyl-2-(6-propyl-1,3-benzodioxol-5-yl)malonic acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1C(C)(C(=O)O)C(=O)O)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1C(C)(C(=O)O)C(=O)O)OCO2

InChI

InChI=1S/C14H16O6/c1-3-4-8-5-10-11(20-7-19-10)6-9(8)14(2,12(15)16)13(17)18/h5-6H,3-4,7H2,1-2H3,(H,15,16)(H,17,18)