3-[1-(3-acetyloxyphenyl)propyl]pentanedioic acid

Systemtic Name: 3-[1-(3-acetyloxyphenyl)propyl]pentanedioic acid Openeye Name: 3-[1-(3-acetoxyphenyl)propyl]pentanedioic acid CAS Name: 3-[1-(3-acetyloxyphenyl)propyl]pentanedioic acid IUPAC Name: 3-[1-(3-acetyloxyphenyl)propyl]pentanedioic acid Traditional Name: 3-[1-(3-acetoxyphenyl)propyl]glutaric acid Formula: C16H20O6 MolecularWeight: 308.3264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O6/c1-3-14(12(8-15(18)19)9-16(20)21)11-5-4-6-13(7-11)22-10(2)17/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)