5-oxidanylidene-2-phenyl-octanoic acid

Systemtic Name: 5-oxidanylidene-2-phenyl-octanoic acid Openeye Name: 5-oxo-2-phenyl-octanoic acid CAS Name: 5-oxo-2-phenyloctanoic acid IUPAC Name: 5-oxo-2-phenyloctanoic acid Traditional Name: 5-keto-2-phenyl-caprylic acid Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-2-6-12(15)9-10-13(14(16)17)11-7-4-3-5-8-11/h3-5,7-8,13H,2,6,9-10H2,1H3,(H,16,17)