2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioate

Systemtic Name: 2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioate Openeye Name: 2-[[3-(acetoxymethyl)phenyl]methyl]propanedioate CAS Name: 2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioate IUPAC Name: 2-[[3-(acetyloxymethyl)phenyl]methyl]propanedioate Traditional Name: 2-[3-(acetoxymethyl)benzyl]malonate Formula: C13H12O6-2 MolecularWeight: 264.23078

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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)/p-2