2,2-dimethyl-3-oxidanylidene-5-phenoxy-pentanoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-5-phenoxy-pentanoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: 2,2-dimethyl-3-oxo-5-phenoxy-pentanoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 2,2-dimethyl-3-oxo-5-phenoxypentanoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: 2,2-dimethyl-3-oxo-5-phenoxypentanoic acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 3-keto-2,2-dimethyl-5-phenoxy-valeric acid; 7-oxabicyclo[2.2.1]hepta-1,3,5-triene Formula: C19H20O5 MolecularWeight: 328.3591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CCOC1=CC=CC=C1)C(=O)O.C1=CC2=CC=C1O2

Isomeric SMILES

CC(C)(C(=O)CCOC1=CC=CC=C1)C(=O)O.C1=CC2=CC=C1O2

InChI

InChI=1S/C13H16O4.C6H4O/c1-13(2,12(15)16)11(14)8-9-17-10-6-4-3-5-7-10;1-2-6-4-3-5(1)7-6/h3-7H,8-9H2,1-2H3,(H,15,16);1-4H