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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1CC(C(=O)O)C(=O)O)OCO2

Isomeric SMILES

CCCC1=CC2=C(C=C1CC(C(=O)O)C(=O)O)OCO2

InChI

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