3-[(2-acetyloxyphenyl)methyl]pentanedioic acid

Systemtic Name: 3-[(2-acetyloxyphenyl)methyl]pentanedioic acid Openeye Name: 3-[(2-acetoxyphenyl)methyl]pentanedioic acid CAS Name: 3-[(2-acetyloxyphenyl)methyl]pentanedioic acid IUPAC Name: 3-[(2-acetyloxyphenyl)methyl]pentanedioic acid Traditional Name: 3-(2-acetoxybenzyl)glutaric acid Formula: C14H16O6 MolecularWeight: 280.27324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1CC(CC(=O)O)CC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1CC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C14H16O6/c1-9(15)20-12-5-3-2-4-11(12)6-10(7-13(16)17)8-14(18)19/h2-5,10H,6-8H2,1H3,(H,16,17)(H,18,19)