2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioic acid Openeye Name: 2-[[3-(acetoxymethyl)phenyl]methyl]propanedioic acid CAS Name: 2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioic acid IUPAC Name: 2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioic acid Traditional Name: 2-[3-(acetoxymethyl)benzyl]malonic acid Formula: C13H14O6 MolecularWeight: 266.24666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC(=C1)CC(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)OCC1=CC=CC(=C1)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H14O6/c1-8(14)19-7-10-4-2-3-9(5-10)6-11(12(15)16)13(17)18/h2-5,11H,6-7H2,1H3,(H,15,16)(H,17,18)