3-[2-(4-acetyloxyphenyl)ethyl]pentanedioic acid

Systemtic Name: 3-[2-(4-acetyloxyphenyl)ethyl]pentanedioic acid Openeye Name: 3-[2-(4-acetoxyphenyl)ethyl]pentanedioic acid CAS Name: 3-[2-(4-acetyloxyphenyl)ethyl]pentanedioic acid IUPAC Name: 3-[2-(4-acetyloxyphenyl)ethyl]pentanedioic acid Traditional Name: 3-[2-(4-acetoxyphenyl)ethyl]glutaric acid Formula: C15H18O6 MolecularWeight: 294.29982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CCC(CC(=O)O)CC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CCC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C15H18O6/c1-10(16)21-13-6-4-11(5-7-13)2-3-12(8-14(17)18)9-15(19)20/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)(H,19,20)