3-[4-(3-oxidanylidenebutyl)phenoxy]propanoic acid

Systemtic Name: 3-[4-(3-oxidanylidenebutyl)phenoxy]propanoic acid Openeye Name: 3-[4-(3-oxobutyl)phenoxy]propanoic acid CAS Name: 3-[4-(3-oxobutyl)phenoxy]propanoic acid IUPAC Name: 3-[4-(3-oxobutyl)phenoxy]propanoic acid Traditional Name: 3-[4-(3-ketobutyl)phenoxy]propionic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCC(=O)O

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCC(=O)O

InChI

InChI=1S/C13H16O4/c1-10(14)2-3-11-4-6-12(7-5-11)17-9-8-13(15)16/h4-7H,2-3,8-9H2,1H3,(H,15,16)